SCHEMBL2171041

SCHEMBL2171041

C/C(CN1CCC[C@H]1COc1ccc(C(F)(F)F)cc1C(N)=O)=N\O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 17/20 0.58
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40

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
SCHEMBL2171056 1.00 CNR2 (0.58) CNR2AURKARPS6KB1
SCHEMBL1974220 0.82 CNR2 (0.59) CNR2
SCHEMBL1974225 0.82 CNR2 (0.59) CNR2
SCHEMBL3627815 0.82 CNR2 (0.59) CNR2
SCHEMBL2170200 0.80 CNR2 (0.55) CNR2
SCHEMBL2170206 0.80 CNR2 (0.55) CNR2
SCHEMBL2170926 0.79 CNR2 (0.56) CNR2
SCHEMBL2170919 0.79 CNR2 (0.56) CNR2
SCHEMBL2171809 0.75 CHRM3 (0.51) CNR2
SCHEMBL3214227 0.75 CNR2 (1.00) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346843-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-27 EP claimed
WO-2010028338-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 WO claimed
EP-2346843-A2 SUBSTITUTED BENZAMIDES AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2011-07-27 EP disclosed
WO-2010028338-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-03-11 WO disclosed