On Target HYES_HUMAN 0.33540374/CHEMBL1087864
For the given ligand aprepitant, we have found in our database that, being scored 0.33540374, the most similar ligand is CHEMBL1087864. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1087864 (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 | Fc1ccc(NC(=O)Nc2ccc(cc2)C(=O)N3CCOCC3)cc1 |
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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 | 0000000e 00004800 00100100 82010e40 01000080 00000010 00000000 02003001 00000000 00000840 00280004 40008000 00008802 00109000 00001448 00080108 10040000 02000000 08000000 00200000 40000100 08028600 32022000 0040000c 00100400 c0000000 00800000 80000081 00008300 00068001 80040000 00004200 |