SCHEMBL13656226

SCHEMBL13656226

O=C(CC(=O)c1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.73
CHRM1 P11229 7/20 0.73
HTR2A P28223 6/20 0.73
CYP2D6 P10635 1/20 0.58
ACHE P22303 1/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CACNA1G O43497 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
ATM Q13315 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL4009683 0.84 MCHR1 (1.00) MCHR1CHRM1HTR2ACYP2D6ACHE
SCHEMBL3861539 0.83 MCHR1 (0.98) MCHR1CHRM1HTR2ACYP2D6ACHE
SCHEMBL3879260 0.83 MCHR1 (0.98) MCHR1CHRM1HTR2ACYP2D6ACHE
SCHEMBL28663251 0.82 RAB9A (0.76) MCHR1CHRM1HTR2ACYP2D6KMT2A
SCHEMBL22079996 0.82 RAB9A (0.76) MCHR1CHRM1HTR2ACYP2D6KMT2A
SCHEMBL4014334 0.81 CHRM1 (1.00) MCHR1CHRM1HTR2AACHEKMT2A
SCHEMBL3869105 0.80 MCHR1 (0.67) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3869109 0.80 MCHR1 (0.67) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3869111 0.80 MCHR1 (0.67) MCHR1CHRM1HTR2ACYP2D6KDM4E
SCHEMBL3869748 0.80 CHRM1 (0.98) MCHR1CHRM1HTR2AACHEKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed