SCHEMBL20458233

SCHEMBL20458233

CC(C)(C)c1cc(NC(=O)C2CCN2c2ncc(C(F)(F)F)cc2Cl)no1

nearest known ligand 0.90

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.90
CNR1 P21554 14/20 0.90
CYP2C8 P10632 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.55

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
SCHEMBL2126970 1.00 CNR2 (0.90) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9893079 0.95 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL2574761 0.95 CNR2 (1.00) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL13257146 0.94 CNR2 (0.95) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL16254900 0.92 CNR2 (0.80) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL2575204 0.86 CNR2 (0.74) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892035 0.86 CNR2 (0.74) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892028 0.86 CNR2 (0.74) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892006 0.85 CNR2 (0.72) CNR2CNR1CYP2C8CYP2C19CYP2D6
SCHEMBL9892861 0.84 CNR2 (0.66) CNR2CNR1CYP2C8CYP2C19CYP2C9

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-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed