SCHEMBL3380784

SCHEMBL3380784

O=C(NCC1CCOCC1)Oc1cnc(Nc2cc(Br)cc(C(F)(F)F)c2)nc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.56
CYP2C19 P33261 6/20 0.56
CYP1A2 P05177 6/20 0.56
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 7/20 0.55
CYP3A4 P08684 6/20 0.55
FLT3 P36888 1/20 0.42

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
SCHEMBL3382343 0.94 CNR2 (0.60) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3380741 0.91 CNR2 (0.66) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3379058 0.89 CNR2 (0.55) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3379687 0.88 CNR2 (0.60) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3383266 0.87 CNR2 (0.73) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3377741 0.86 CNR2 (0.73) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL13503376 0.85 CNR2 (0.76) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3378208 0.84 CNR2 (0.57) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3379074 0.83 CNR2 (0.57) CNR2CYP2C19CYP1A2CYP2D6CYP2C9
SCHEMBL3381286 0.83 CNR2 (0.64) CNR2CYP2C19CYP1A2CYP2D6CYP2C9

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