SCHEMBL13691770

SCHEMBL13691770

CC(CNC(=O)/C=C/c1ccc(Cl)cc1)N[C@@H](CCN1CCCCC1)C(=O)N(C)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.47
▸ MC5R P33032 2/20 0.47
▸ MC3R P41968 2/20 0.47
▸ MC1R Q01726 2/20 0.47
▸ DRD2 P14416 5/20 0.44
▸ DRD3 P35462 5/20 0.44
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ UTS2R Q9UKP6 5/20 0.40
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ MCHR1 Q99705 1/20 0.39
▸ TACR2 P21452 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NLRP3 Q96P20 1/20 0.38

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
SCHEMBL13188833 0.95 DRD2 (0.46) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691795 0.90 DRD3 (0.47) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691865 0.86 MC4R (0.43) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13190970 0.83 DRD2 (0.51) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13189115 0.83 MC4R (0.44) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691792 0.82 DRD2 (0.52) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13689522 0.82 DRD2 (0.49) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13190971 0.81 MC4R (0.48) MC4RMC5RMC3RMC1RDRD2
SCHEMBL13691873 0.79 THRB (0.46) LMNAHTTUTS2RSMN1; SMN2
SCHEMBL13189119 0.79 CYP3A4 (0.42) GAALMNAHTTUTS2RSMN1; SMN2

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-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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