SCHEMBL4048822

SCHEMBL4048822

CC(C)CCNC(=O)c1cnc(N2CCCC2)c(OCC2CCC2)n1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.53

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
SCHEMBL3258755 0.85 CNR2 (0.42) CNR2
SCHEMBL3257344 0.83 CNR2 (0.42) CNR2
SCHEMBL3247566 0.82 CNR2 (0.62) CNR2
SCHEMBL3247560 0.82 CNR2 (0.62) CNR2
SCHEMBL3252978 0.82 CNR2 (0.62) CNR2
SCHEMBL3254967 0.81 CNR2 (0.52) CNR2
SCHEMBL3253623 0.80 CNR2 (0.62) CNR2
SCHEMBL3250448 0.80 CNR2 (0.62) CNR2
SCHEMBL3250454 0.80 CNR2 (0.62) CNR2
SCHEMBL3256340 0.80 CNR2 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076499-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-08 EP disclosed
WO-2008040649-A2 PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS CB2 RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO disclosed