SCHEMBL211895

SCHEMBL211895

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.47
TRPV1 Q8NER1 6/20 0.37
SCN9A Q15858 1/20 0.35
CNR2 P34972 4/20 0.35
CFTR P13569 3/20 0.35
PPARA Q07869 1/20 0.34
EDNRA P25101 1/20 0.34
TYRO3 Q06418 1/20 0.34
LRRK2 Q5S007 1/20 0.33

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
SCHEMBL212187 0.92 CNR1 (0.37) CNR1CNR2CFTRPPARATYRO3
SCHEMBL14856733 0.88 CNR1 (0.43) CNR1TRPV1SCN9ACNR2PPARA
SCHEMBL212570 0.88 CNR1 (0.61) CNR1CNR2CFTR
SCHEMBL10031418 0.88 CNR1 (0.61) CNR1CNR2CFTR
SCHEMBL10031414 0.88 CNR1 (0.61) CNR1CNR2CFTR
SCHEMBL212749 0.87 MEN1 (0.41) CNR1TRPV1CNR2CFTRPPARA
SCHEMBL213908 0.87 NPY2R (0.37) CNR1TRPV1CNR2CFTRPPARA
SCHEMBL4064887 0.85 CNR1 (0.44) CNR1TRPV1CNR2EDNRA
SCHEMBL212569 0.84 CNR1 (0.54) CNR1CNR2CFTR
SCHEMBL212545 0.82 CNR1 (0.53) 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