SCHEMBL5216574

SCHEMBL5216574

O=C(NCC1CCCCC1)c1cnc(Nc2cccc(Cl)c2Cl)cc1C(F)(F)F

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.74
CYP2C9 P11712 5/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C19 P33261 4/20 0.53
CYP1A2 P05177 4/20 0.52
CNR1 P21554 1/20 0.52
CYP2D6 P10635 1/20 0.49

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
SCHEMBL5213298 1.00 CNR2 (0.74) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5212910 0.91 CNR2 (0.77) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5215012 0.86 CNR2 (0.98) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5214111 0.86 CNR2 (0.98) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5213030 0.85 CNR2 (1.00) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5077165 0.84 CNR2 (1.00) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5216375 0.84 CNR2 (0.84) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL4927280 0.84 CNR2 (0.64) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5215754 0.83 CNR2 (0.98) CNR2CYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5214828 0.83 CNR2 (0.96) CNR2CYP2C9CYP3A4CYP2C19CYP1A2

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 2 patents. 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
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed