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SCHEMBL4026409

SCHEMBL4026409

CN(C)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc2n(CCC(F)(F)F)c1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 16/20 0.46
▸ MALT1 Q9UDY8 2/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ CNR2 P34972 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ RAD52 P43351 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
SCHEMBL4184513 0.91 CNR1 (0.49) CNR1
SCHEMBL4022474 0.90 CNR1 (0.51) CNR1CNR2
SCHEMBL4020217 0.86 CNR1 (0.49) CNR1CNR2
SCHEMBL4191527 0.84 CNR1 (0.53) CNR1
SCHEMBL4181240 0.82 CNR1 (0.49) CNR1CNR2
SCHEMBL4019475 0.81 CNR2 (0.46) CNR1CNR2
SCHEMBL4018113 0.77 CNR2 (0.46) CNR1CNR2
SCHEMBL4020673 0.77 CNR1 (0.52) CNR1CNR2
SCHEMBL4024815 0.77 RPA1 (0.44) CNR1CNR2
SCHEMBL4020592 0.76 CNR1 (0.42) 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
WO-2009095752-A1 FUSED PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-08-06 — — WO claimed
WO-2009095752-A1 FUSED PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-08-06 — — WO disclosed