SCHEMBL5780683

SCHEMBL5780683

O=C(NCc1ccccc1)c1cnc(Nc2cc(Cl)ccc2Cl)nc1C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.82
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64

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
SCHEMBL5077117 0.92 CNR2 (0.82) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5779909 0.91 CNR2 (0.74) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780688 0.90 CNR2 (1.00) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5777464 0.88 CNR2 (0.75) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5779473 0.86 CNR2 (1.00) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780820 0.85 CNR2 (0.87) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5083119 0.85 CNR2 (0.80) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL3380605 0.85 CNR2 (1.00) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5083338 0.85 CNR2 (0.85) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5781250 0.85 CNR2 (0.75) CNR2CYP1A2CYP2C9CYP2C19CYP3A4

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
EP-1736470-A2 Pyrimidine derivatives as CB2 cannabinoid receptor modulators GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed