SCHEMBL212187

SCHEMBL212187

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
PPARA Q07869 1/20 0.37
CFTR P13569 4/20 0.35
CNR2 P34972 2/20 0.35
SGK1 O00141 4/20 0.35
GPR119 Q8TDV5 2/20 0.34
CYP17A1 P05093 1/20 0.33
KIF11 P52732 1/20 0.33
TYRO3 Q06418 1/20 0.33
HPGDS O60760 1/20 0.33
PPARD Q03181 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
SCHEMBL211895 0.92 CNR1 (0.47) CNR1PPARACFTRCNR2TYRO3
SCHEMBL212749 0.89 MEN1 (0.41) CNR1PPARACFTRCNR2
SCHEMBL213908 0.88 NPY2R (0.37) CNR1PPARACFTRCNR2GPR119
SCHEMBL14856883 0.88 GPR119 (0.35) CNR1PPARASGK1GPR119CYP17A1
SCHEMBL213232 0.87 CNR1 (0.49) CNR1CFTRCNR2HPGDS
SCHEMBL213032 0.83 CNR1 (0.44) CNR1CFTRCNR2HPGDS
SCHEMBL4058840 0.81 KIF11 (0.41) PPARASGK1CYP17A1KIF11PPARD
SCHEMBL213341 0.81 CNR1 (0.43) CNR1CFTRCNR2HPGDS
SCHEMBL212800 0.80 CNR1 (0.51) CNR1PPARACNR2
SCHEMBL14856733 0.80 CNR1 (0.43) CNR1PPARACNR2GPR119KIF11

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