SCHEMBL5253131

SCHEMBL5253131

CC(C)c1cc(Nc2cccc(C(F)(F)F)c2)ncc1C(=O)NCC1CCOC(=O)C1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.64
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL5248364 0.92 CNR2 (0.56) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5214859 0.90 CNR2 (0.78) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5247388 0.90 CNR2 (0.67) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4650376 0.89 CNR2 (0.71) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5255692 0.89 CNR2 (0.55) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5255655 0.89 CNR2 (0.81) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5249860 0.88 CNR2 (0.68) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5255742 0.88 CNR2 (0.60) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5249738 0.88 CNR2 (0.81) CNR2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5244169 0.88 CNR2 (0.81) CNR2CYP3A4CYP2D6CYP2C9CYP2C19

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