SCHEMBL2170919

SCHEMBL2170919

CN1CCCC[C@H]1COc1ccc(C(F)(F)F)cc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.56
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
IRAK4 Q9NWZ3 1/20 0.48
CHRNB1 P11230 1/20 0.48
CHRNB2 P17787 1/20 0.48
CHRNB3 Q05901 1/20 0.48

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
SCHEMBL2170926 1.00 CNR2 (0.56) CNR2CHRNB4CHRNA3IRAK4CHRNB1
SCHEMBL1974225 0.97 CNR2 (0.59) CNR2CHRNB4CHRNA3IRAK4CHRNB1
SCHEMBL3627815 0.97 CNR2 (0.59) CNR2CHRNB4CHRNA3IRAK4CHRNB1
SCHEMBL1974220 0.97 CNR2 (0.59) CNR2CHRNB4CHRNA3IRAK4CHRNB1
SCHEMBL2171809 0.87 CHRM3 (0.51) CNR2CHRNB4CHRNA3IRAK4CHRNB1
SCHEMBL286122 0.87 CNR2 (0.60) CNR2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL286123 0.87 CNR2 (0.60) CNR2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL283589 0.85 CNR2 (0.59) CNR2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL283588 0.85 CNR2 (0.59) CNR2CHRNB4CHRNA3CHRNB1CHRNB2
SCHEMBL283146 0.85 CNR2 (0.59) CNR2CHRNB4CHRNA3CHRNB1CHRNB2

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
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