SCHEMBL3377555

SCHEMBL3377555

O=C(NCC1CCOCC1)Oc1cnc(Nc2ccc(Br)cc2Cl)nc1C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.65
CYP2C9 P11712 6/20 0.57
CYP1A2 P05177 5/20 0.57
CYP3A4 P08684 4/20 0.57
CYP2C19 P33261 5/20 0.51
CYP2D6 P10635 4/20 0.51
CNR1 P21554 1/20 0.44

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
SCHEMBL5560971 0.93 CNR2 (0.76) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3379050 0.93 CNR2 (0.55) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3381286 0.92 CNR2 (0.64) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3382328 0.92 CNR2 (0.54) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3379027 0.91 CNR2 (0.66) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3378208 0.91 CNR2 (0.57) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3379011 0.91 CNR2 (0.75) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3378171 0.89 CNR2 (0.65) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3379582 0.88 CNR2 (0.63) CNR2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL3379101 0.88 CNR2 (0.76) CNR2CYP2C9CYP1A2CYP3A4CYP2C19

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