SCHEMBL5777464

SCHEMBL5777464

N#Cc1ccc(CNC(=O)c2cnc(Nc3cc(Cl)ccc3Cl)nc2C(F)(F)F)cc1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.75
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 1/20 0.59
LMNA P02545 1/20 0.52

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
SCHEMBL5779399 0.93 CNR2 (0.75) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5779909 0.89 CNR2 (0.74) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780683 0.88 CNR2 (0.82) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780836 0.87 CNR2 (0.79) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5078986 0.86 CNR2 (0.85) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5079081 0.86 CNR2 (1.00) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5780455 0.86 CNR2 (0.73) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5778058 0.85 CNR2 (0.76) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5781250 0.83 CNR2 (0.75) CNR2CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5778827 0.82 CNR2 (0.74) 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