On Target SC6A4_HUMAN 0.42857143/CHEMBL2347691
For the given ligand aprepitant, we have found in our database that, being scored 0.42857143, the most similar ligand is CHEMBL2347691. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL2347691 (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(COC[C@]2(CCCN(Cc3ccccc3)CC2)c4ccccc4)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 00100102 00010700 00180051 00004000 00000400 22001040 00100900 000808d0 08300000 40018002 00000802 01210000 00040400 020c1008 08800000 02000000 04402000 c0000201 00010120 18008030 01000000 00500010 00000400 c0002000 00080200 90000000 00000300 0006000a 60140004 02002e00 |