SCHEMBL14307828

SCHEMBL14307828

O=C(NCC1CCOCC1)c1cnc(NC2C(Cl)=CC=CC2Cl)nc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.64
▸ CYP2C9 P11712 7/20 0.64
▸ CYP3A4 P08684 6/20 0.64
▸ CYP2C19 P33261 6/20 0.64
▸ CYP2D6 P10635 4/20 0.64
▸ CYP1A2 P05177 6/20 0.61

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
SCHEMBL6061291 0.80 CNR2 (0.73) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL13503318 0.78 CNR2 (1.00) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL13503320 0.78 CNR2 (1.00) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL541605 0.77 CNR2 (0.62) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL541606 0.77 CNR2 (0.62) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL13069566 0.76 CNR2 (1.00) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL13503371 0.76 CNR2 (0.79) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL13141747 0.76 CNR2 (0.61) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL13069958 0.76 CNR2 (0.80) CNR2CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL541764 0.75 CNR2 (1.00) CNR2CYP2C9CYP3A4CYP2C19CYP2D6

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-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 — — EP disclosed
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