SCHEMBL212570

SCHEMBL212570

CC(O)(CNC(=O)c1nc(-c2ccc(Cl)cc2)c(OCC2CC2)nc1C(F)(F)F)C1CC1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.61
CNR2 P34972 8/20 0.43
CFTR P13569 4/20 0.37

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
SCHEMBL10031418 1.00 CNR1 (0.61) CNR1CNR2CFTR
SCHEMBL10031414 1.00 CNR1 (0.61) CNR1CNR2CFTR
SCHEMBL213232 0.91 CNR1 (0.49) CNR1CNR2CFTR
SCHEMBL212569 0.91 CNR1 (0.54) CNR1CNR2CFTR
SCHEMBL212545 0.90 CNR1 (0.53) CNR1CNR2CFTR
SCHEMBL211895 0.88 CNR1 (0.47) CNR1CNR2CFTR
SCHEMBL14856830 0.87 CNR1 (0.56) CNR1CNR2
SCHEMBL212456 0.85 CNR1 (0.47) CNR1CNR2CFTR
SCHEMBL213032 0.82 CNR1 (0.44) CNR1CNR2CFTR
SCHEMBL213341 0.81 CNR1 (0.43) CNR1CNR2CFTR

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
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
EP-2271632-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2011-01-12 EP 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
EP-2271632-A1 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. Hoffmann-La Roche AG (CH) 2011-01-12 EP disclosed