On Target HRH4_HUMAN 0.29411766/CHEMBL1938971
For the given ligand Aprepitant, we have found in our database that, being scored 0.29411766, the most similar ligand is CHEMBL1938971. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1938971 (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 | CN1C[C@@H]2CN(C[C@@H]2C1)C(=O)c3cc4cccnc4[nH]3 |
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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 | 00000002 00009c00 00104100 10010e00 000c0020 00104010 00000000 2a003001 00200100 400001e0 01290004 40028800 00008802 00f00000 00020440 020c0104 00000000 02000006 80200000 00000201 40000000 180f8620 20802000 8040011c 00100000 c0000400 00000000 90000000 00400104 00460011 e0040200 00006680 |