On Target TAAR1_HUMAN 0.37962964/CHEMBL1446878
For the given ligand Aprepitant, we have found in our database that, being scored 0.37962964, the most similar ligand is CHEMBL1446878. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1446878 (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 | Cc1ccn2c(CNCC3OCCc4ccccc34)c(nc2c1)C(=O)N5CCCCCC5 |
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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 01801800 00104500 90050e10 000410f0 0010c000 0000c080 28003041 00000180 400808c0 49298004 40818800 80008802 00b18000 00061448 020c010c 18020200 02000002 84202002 c0000201 c0030020 18258eb0 33806000 81500118 10140400 81002600 0808c000 90000001 04000205 00460803 e0040000 820066a0 |