SCHEMBL5247472

SCHEMBL5247472

CC(C)c1cc(Nc2ccc(OC(F)(F)F)c(Br)c2)ncc1C(=O)NCC1CCOC(=O)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.57
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48

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
SCHEMBL5251316 0.91 CNR2 (0.59) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5214843 0.91 CNR2 (0.69) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5251628 0.87 CNR2 (0.62) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5249860 0.87 CNR2 (0.68) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5251172 0.85 CNR2 (0.62) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5254469 0.85 CNR2 (0.54) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5251306 0.85 CNR2 (0.64) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5248606 0.84 CNR2 (0.68) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5249925 0.83 CNR2 (0.60) CNR2CYP2D6CYP2C9CYP2C19CYP3A4
SCHEMBL5249738 0.83 CNR2 (0.81) CNR2CYP2D6CYP2C9CYP2C19CYP3A4

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