SCHEMBL4187487

SCHEMBL4187487

CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.59
CNR2 P34972 11/20 0.58
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL4186644 0.90 PDE4B (0.51) CNR1CNR2
SCHEMBL4913629 0.88 CNR1 (0.49) CNR1CNR2KDM4EMEN1MAPT
SCHEMBL923180 0.87 CNR2 (0.71) CNR1CNR2
SCHEMBL29838956 0.87 CNR2 (0.71) CNR1CNR2
SCHEMBL5769070 0.87 KDM4E (0.58) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL923308 0.87 CNR1 (0.63) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL972368 0.86 CNR1 (0.62) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL4632916 0.85 CNR1 (0.59) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL17163901 0.85 CNR2 (0.62) CNR1CNR2GABRA2GABRB2KDM4E
SCHEMBL923181 0.85 CNR1 (0.61) CNR1CNR2GABRA2GABRB2KDM4E

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
WO-2015155566-A1 FUSED PYRAZOLE COMPOUNDS AS CB1R ANTAGONISTS AND USES THEREOF Piramal Enterprises Limited (IN) 2015-10-15 WO disclosed
WO-2009095752-A1 FUSED PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-08-06 WO disclosed