SCHEMBL20458231

SCHEMBL20458231

CC(C)(COC1CCCCO1)c1cc(NC(=O)[C@@H]2CCN2c2ccc(C#N)cc2)on1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.51
CNR1 P21554 11/20 0.45
CYP2C8 P10632 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL9892901 0.90 CNR2 (0.46) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892915 0.90 CNR2 (0.49) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892843 0.90 CNR2 (0.51) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL2568728 0.86 CNR2 (0.54) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892272 0.86 CNR2 (0.54) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892900 0.84 CNR2 (0.60) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892832 0.80 CNR2 (0.47) CNR2CNR1
SCHEMBL9892930 0.80 CNR2 (0.56) CNR2CNR1CYP2C8CYP2C19CYP2C9
SCHEMBL9892844 0.79 CNR2 (0.44) CNR2CNR1
SCHEMBL2580450 0.78 CNR2 (0.55) 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