SCHEMBL5246231

SCHEMBL5246231

CC(C)c1cc(Nc2cc(C(F)(F)F)ccc2F)ncc1C(=O)NCC1CCOC(=O)C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.60
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2D6 P10635 1/20 0.56
CNR1 P21554 1/20 0.43

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
SCHEMBL5255940 0.92 CNR2 (0.58) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5247846 0.92 CNR2 (0.57) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5244044 0.92 CNR2 (0.59) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5214042 0.90 CNR2 (0.73) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5243339 0.90 CNR2 (0.59) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5255943 0.90 CNR2 (0.67) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5253131 0.87 CNR2 (0.64) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5248364 0.86 CNR2 (0.56) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5248180 0.86 CNR2 (0.69) CNR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5248555 0.85 CNR2 (0.59) CNR2CYP1A2CYP3A4CYP2C9CYP2C19

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