SCHEMBL739503

SCHEMBL739503

COc1cccc2c1n(CCN1CCOCC1)c(=O)n2C(=O)N[C@H](C(N)=O)C(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.77
CNR1 P21554 7/20 0.62

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
SCHEMBL762163 1.00 CNR2 (0.77) CNR2CNR1
SCHEMBL737497 0.92 CNR2 (0.64) CNR2CNR1
SCHEMBL14261082 0.92 CNR2 (0.64) CNR2CNR1
SCHEMBL737759 0.89 CNR2 (0.79) CNR2CNR1
SCHEMBL738743 0.88 CNR2 (0.78) CNR2CNR1
SCHEMBL738026 0.87 CNR2 (1.00) CNR2CNR1
Hydrochloric Acid SCHEMBL738290 0.86 CNR2 (0.98) CNR2CNR1
SCHEMBL739359 0.85 CNR2 (0.76) CNR2CNR1
Hydrochloric Acid SCHEMBL739296 0.84 CNR2 (0.75) CNR2CNR1
Hydrochloric Acid SCHEMBL737785 0.82 CNR2 (0.54) 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