On Target CNR2_HUMAN 0.4019608/CHEMBL1760931
For the given ligand Aprepitant, we have found in our database that, being scored 0.4019608, the most similar ligand is CHEMBL1760931. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1760931 (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 | Fc1cccc(C(=O)c2nc(CN3CCOCC3)c4ccccn24)c1C(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 | 1000001a 00000800 00104500 92010e10 040410e0 0018c012 0000c400 0a003001 10000100 00082850 49298044 50808800 00008882 01701000 00061468 060c018c 18028200 02000023 80201000 40000040 44000000 18028a20 33806000 00440114 00040400 c0000400 88008010 90001001 00000304 00468803 c0160000 a0010680 |