SCHEMBL4558983

SCHEMBL4558983

O=C(O)c1cc2c(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3Cl)nc2n(CCC(F)F)c1=O

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.50
MARS1 P56192 6/20 0.46
CNR2 P34972 8/20 0.43
CNR1 P21554 1/20 0.43

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
SCHEMBL4186987 0.90 CNR2 (0.46) RPA1CNR2CNR1
SCHEMBL4192532 0.89 CNR1 (0.46) RPA1CNR2CNR1
SCHEMBL4193133 0.86 RPA1 (0.47) RPA1MARS1CNR2CNR1
SCHEMBL4018799 0.85 RPA1 (0.47) RPA1MARS1CNR2CNR1
SCHEMBL4017898 0.84 RPA1 (0.46) RPA1MARS1CNR2CNR1
SCHEMBL4027308 0.83 CNR1 (0.45) MARS1CNR2CNR1
SCHEMBL4020673 0.80 CNR1 (0.52) CNR2CNR1
SCHEMBL4024815 0.80 RPA1 (0.44) RPA1MARS1CNR2CNR1
SCHEMBL4024821 0.80 CNR1 (0.47) CNR2CNR1
SCHEMBL4019475 0.78 CNR2 (0.46) CNR2CNR1

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