On Target HRH2_HUMAN 0.38562092/CHEMBL422931
For the given ligand Aprepitant, we have found in our database that, being scored 0.38562092, the most similar ligand is CHEMBL422931. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL422931 (Similar Ligand) |
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| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | FC(F)(F)c1cc(COCC2(CCNCC2)c3ccccc3)cc(c1)C(F)(F)F |
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| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 00000000 010c0200 00100100 00010700 00100051 00004000 00000400 20000040 00000900 000808d0 08300000 50018002 00000002 01010000 00040000 020c1008 08000000 02000000 04400000 40000201 00010120 18000020 01000000 00400010 00000400 80002000 00080200 90000000 00000200 0006000a 40100004 02000e00 |