SCHEMBL4190428

SCHEMBL4190428

O=C(NC1CC1)c1cc2c(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)nc2n(CCC(F)(F)F)c1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.42
CNR2 P34972 9/20 0.42
CRHR1 P34998 1/20 0.41
LIPG Q9Y5X9 2/20 0.40
MALT1 Q9UDY8 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
TTK P33981 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
SCHEMBL4019604 0.85 SMN1; SMN2 (0.40) CNR1MALT1
SCHEMBL4022727 0.81 CHRNA7 (0.42) KDM4EALDH1A1MAPTMAPK1
SCHEMBL4019475 0.78 CNR2 (0.46) CNR1CNR2
SCHEMBL4026894 0.77 CNR1 (0.49) CNR1CNR2
SCHEMBL4184513 0.77 CNR1 (0.49) CNR1
SCHEMBL4021673 0.77 CNR1 (0.54) CNR1CNR2
SCHEMBL4022474 0.76 CNR1 (0.51) CNR1CNR2
SCHEMBL4020217 0.76 CNR1 (0.49) CNR1CNR2
SCHEMBL4024815 0.75 RPA1 (0.44) CNR1CNR2
SCHEMBL4026409 0.75 CNR1 (0.46) CNR1CNR2MALT1

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-2009095752-A1 FUSED PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-08-06 WO disclosed