SCHEMBL214387

SCHEMBL214387

CS(=O)(=O)Nc1ccc(-c2nc(C(=O)N[C@@H]3CCCC[C@H]3O)c(C(F)(F)F)nc2OCC2CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.61
CNR2 P34972 7/20 0.51

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
SCHEMBL212800 0.92 CNR1 (0.51) CNR1CNR2
SCHEMBL14856867 0.88 CNR1 (0.56) CNR1CNR2
SCHEMBL214846 0.87 CNR1 (0.49) CNR1CNR2
SCHEMBL214048 0.87 CNR1 (0.68) CNR1CNR2
SCHEMBL212455 0.86 CNR1 (0.46) CNR1CNR2
SCHEMBL4064887 0.85 CNR1 (0.44) CNR1CNR2
SCHEMBL212405 0.83 CNR1 (0.61) CNR1CNR2
SCHEMBL211895 0.81 CNR1 (0.47) CNR1CNR2
SCHEMBL212661 0.81 CNR1 (0.61) CNR1CNR2
SCHEMBL14856737 0.80 CNR1 (0.46) CNR1CNR2

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-8088920-B2 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US claimed
US-8088920-B2 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2012-01-03 US disclosed