SCHEMBL3382307

SCHEMBL3382307

O=C(NCC1CCSCC1)Oc1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.65
CYP2C9 P11712 8/20 0.63
CYP2C19 P33261 8/20 0.63
CYP3A4 P08684 7/20 0.63
CYP1A2 P05177 6/20 0.63
CYP2D6 P10635 5/20 0.63
PRKCQ Q04759 1/20 0.47

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
SCHEMBL3381312 0.92 CNR2 (0.73) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3379278 0.92 CNR2 (0.73) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3383239 0.92 CNR2 (0.74) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3379924 0.90 CNR2 (0.75) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3379587 0.87 CNR2 (0.61) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL13069974 0.85 CNR2 (0.88) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3383275 0.84 CNR2 (0.57) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3377570 0.83 CNR2 (0.61) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3382861 0.83 CNR2 (0.61) CNR2CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3383217 0.83 CNR2 (0.59) CNR2CYP2C9CYP2C19CYP3A4CYP1A2

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-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 EP claimed