SCHEMBL1379459

SCHEMBL1379459

CCOCCOc1ncc(C(=O)NC2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.85
TACR2 P21452 1/20 0.85
CNR2 P34972 2/20 0.74

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
SCHEMBL1379460 1.00 CNR1 (0.85) CNR1TACR2CNR2
SCHEMBL1377250 0.92 CNR1 (1.00) CNR1TACR2CNR2
SCHEMBL1376708 0.92 CNR1 (1.00) CNR1TACR2CNR2
SCHEMBL1377255 0.92 CNR1 (1.00) CNR1TACR2CNR2
SCHEMBL5271693 0.92 CNR1 (1.00) CNR1TACR2CNR2
SCHEMBL2704102 0.91 CNR1 (1.00) CNR1TACR2CNR2
SCHEMBL1377904 0.89 CNR1 (0.91) CNR1TACR2CNR2
SCHEMBL1377196 0.89 CNR1 (0.83) CNR1TACR2CNR2
SCHEMBL2705566 0.88 CNR1 (0.84) CNR1TACR2CNR2
SCHEMBL1379872 0.88 CNR1 (0.82) CNR1TACR2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4712865-B2 2011-06-29 JP claimed
EP-1868999-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. Hoffmann-Roche AG (CH) 2007-12-26 EP claimed
WO-2006106054-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO claimed
EP-1868999-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. Hoffmann-Roche AG (CH) 2007-12-26 EP disclosed
WO-2006106054-A1 PYRIDINE-3-CARBOXAMIDE DERIVATIVES AS CB1 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-12 WO disclosed