On Target 5HT4R_HUMAN 0.34741783/CHEMBL3741508
For the given ligand Aprepitant, we have found in our database that, being scored 0.34741783, the most similar ligand is CHEMBL3741508. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3741508 (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 | CC(C)c1nc(C(=O)NCC2CN(CCO2)C3CCOCC3)c4ccccn14 |
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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 01805c00 00104500 90010f10 800c10e0 00104002 0000c000 0a003001 10000100 40000170 41298024 40808800 00008882 00780000 000e14c8 020c010c 18228000 02000022 80e00000 40000241 c0000020 180b8e20 33800080 0040011c 20040401 c0000400 08808010 80001001 00000304 00460811 e0040000 a0002280 |