SCHEMBL3249853

SCHEMBL3249853

COc1ccc(-c2c(C#N)c(C(=O)O)nn2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.73
CNR2 P34972 5/20 0.49
HTR1A P08908 1/20 0.49
TSPO P30536 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRK1 P41145 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3828981 0.90 CNR1 (0.68) CNR1CNR2
SCHEMBL219356 0.88 CNR1 (0.67) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL3827684 0.86 CNR1 (0.70) CNR1CNR2
SCHEMBL2872140 0.85 CNR2 (0.64) CNR1CNR2
SCHEMBL4662687 0.85 CNR1 (0.58) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL4888462 0.84 CNR1 (0.71) CNR1CNR2
SCHEMBL3252718 0.84 CNR1 (0.57) CNR1CNR2
Jhu-75528 SCHEMBL31038583 0.84 CNR1 (1.00) CNR1CNR2HTR1ATSPOOPRM1
SCHEMBL909047 0.83 CNR1 (0.61) CNR1CNR2
SCHEMBL4907403 0.83 CNR1 (0.56) CNR1CNR2

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
EP-1878723-B1 N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide derivatives antagonists of the CB1 cannabinoids receptors SANOFI AVENTIS (FR) 2010-05-26 EP disclosed
EP-1878723-A1 N-[(1,5-diphenyl-1H-pyrazol-3-yl)methyl]sulfonamide derivatives antagonists of the CB1 cannabinoids receptors Sanofi-Aventis (FR) 2008-01-16 EP disclosed