SCHEMBL13189119

SCHEMBL13189119

CC(CNC(=O)/C=C/c1ccc(Cl)cc1)N[C@@H](Cn1ccnc1)C(=O)N(C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP24A1 Q07973 2/20 0.40
▸ ITGB2 P05107 3/20 0.40
▸ ICAM1 P05362 3/20 0.40
▸ ITGAL P20701 3/20 0.40
▸ MAPT P10636 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ TBXAS1 P24557 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13691770 0.79 MC4R (0.47) MAPTNLRP3SMN1; SMN2LMNAGAA
SCHEMBL13188833 0.78 DRD2 (0.46) SMN1; SMN2LMNAGAAHTTUTS2R
SCHEMBL13190971 0.72 MC4R (0.48) MAPTNLRP3CYP1A2MEN1CYP2C19
SCHEMBL13190967 0.72 MAPT (0.47) ALDH1A1MAPTNLRP3SMN1; SMN2LMNA
SCHEMBL13691795 0.71 DRD3 (0.47) ALDH1A1SMN1; SMN2LMNAKMT2A
SCHEMBL28433860 0.69 ALDH1A1 (0.52) CYP3A4CYP2D6ALDH1A1ITGB2ICAM1
SCHEMBL13691792 0.69 DRD2 (0.52) MAPTNLRP3SMN1; SMN2CYP1A2MEN1
SCHEMBL13190970 0.68 DRD2 (0.51) MAPTNLRP3SMN1; SMN2
SCHEMBL13689522 0.67 DRD2 (0.49) MAPTNLRP3SMN1; SMN2LMNAGAA
SCHEMBL13691862 0.66 UTS2R (0.43) ALDH1A1MAPTNLRP3SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010096854-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC3 AND/OR MC4 RECEPTORS AND TREATMENT OF CONDITIONS RELATED TO THESE RECEPTORS MIMETICA PTY LTD (AU) 2010-09-02 — — WO disclosed
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