SCHEMBL736721

SCHEMBL736721

COC(=O)[C@H](Cc1ccccc1)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.64
CNR1 P21554 4/20 0.60
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.52
GFER P55789 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL740432 0.89 CNR2 (0.66) CNR2CNR1
SCHEMBL740431 0.89 CNR2 (0.66) CNR2CNR1
SCHEMBL738253 0.83 CNR2 (0.80) CNR2CNR1
SCHEMBL4116987 0.82 CNR2 (0.68) CNR2CNR1
SCHEMBL4117000 0.82 CNR2 (0.68) CNR2CNR1
SCHEMBL736401 0.81 CNR2 (0.81) CNR2CNR1
SCHEMBL736400 0.81 CNR2 (0.81) CNR2CNR1
SCHEMBL737775 0.80 CNR2 (0.74) CNR2CNR1
SCHEMBL737657 0.80 CNR2 (0.74) CNR2CNR1
SCHEMBL737762 0.79 CNR2 (0.67) CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138177-B2 Benzimidazolone derivatives as CB2 receptor ligands PFIZER INC. (US) 2012-03-20 US claimed
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed