SCHEMBL5212910

SCHEMBL5212910

O=C(NCC1CCOCC1)c1cnc(Nc2cccc(Cl)c2Cl)cc1C(F)(F)F

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.77
CYP2C9 P11712 5/20 0.64
CYP1A2 P05177 4/20 0.64
CYP2C19 P33261 4/20 0.64
CYP3A4 P08684 2/20 0.64
CNR1 P21554 1/20 0.64
CYP2D6 P10635 3/20 0.56

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
SCHEMBL5213298 0.91 CNR2 (0.74) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5216574 0.91 CNR2 (0.74) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5079723 0.87 CNR2 (1.00) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5214727 0.86 CNR2 (0.73) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5215691 0.86 CNR2 (0.85) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL4931804 0.86 CNR2 (0.76) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5216776 0.85 CNR2 (1.00) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5219165 0.84 CNR2 (0.72) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5219032 0.84 CNR2 (0.82) CNR2CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL5213612 0.84 CNR2 (0.77) CNR2CYP2C9CYP1A2CYP2C19CYP3A4

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