SCHEMBL5212899

SCHEMBL5212899

Cc1ccc(Cl)cc1Nc1cc(C(F)(F)F)c(C(=O)NCC2CCOCC2)cn1

nearest known ligand 0.87

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.87
CYP2C9 P11712 5/20 0.70
CYP2C19 P33261 4/20 0.70
CYP1A2 P05177 4/20 0.70
CYP3A4 P08684 3/20 0.70
CNR1 P21554 1/20 0.70
CYP2D6 P10635 3/20 0.62

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
SCHEMBL5215074 0.93 CNR2 (1.00) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5215531 0.91 CNR2 (0.79) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5219032 0.90 CNR2 (0.82) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5079723 0.90 CNR2 (1.00) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5214123 0.89 CNR2 (1.00) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5212412 0.89 CNR2 (0.85) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4932252 0.86 CNR2 (0.83) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5216904 0.85 CNR2 (0.82) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5216776 0.84 CNR2 (1.00) CNR2CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5213843 0.84 CNR2 (0.84) CNR2CYP2C9CYP2C19CYP1A2CYP3A4

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-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP claimed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed