SCHEMBL212749

SCHEMBL212749

CC(O)(CNC(=O)c1nc(-c2ccc(NS(C)(=O)=O)cc2)c(OCc2ccccn2)nc1C(F)(F)F)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 1/20 0.39
TRPV1 Q8NER1 3/20 0.38
CNR2 P34972 2/20 0.36
CNR1 P21554 3/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
CFTR P13569 3/20 0.33
ATR Q13535 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
MAPK10 P53779 1/20 0.33
PPARA Q07869 1/20 0.32

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
SCHEMBL14856695 0.90 PIK3CA (0.38) MEN1KMT2APIK3CATRPV1CNR2
SCHEMBL212187 0.89 CNR1 (0.37) CNR2CNR1CFTRPPARA
SCHEMBL211895 0.87 CNR1 (0.47) TRPV1CNR2CNR1CFTRPPARA
SCHEMBL213908 0.86 NPY2R (0.37) TRPV1CNR2CNR1CFTRATR
SCHEMBL214825 0.85 CNR1 (0.40) TRPV1CNR2CNR1IRAK4CFTR
SCHEMBL212544 0.84 CNR1 (0.40) CNR2CNR1IRAK4CFTR
SCHEMBL4064494 0.83 MEN1 (0.45) MEN1KMT2APIK3CATRPV1ATR
SCHEMBL214846 0.82 CNR1 (0.49) MEN1KMT2APIK3CACNR2CNR1
SCHEMBL14856883 0.77 GPR119 (0.35) TRPV1CNR1PPARA
SCHEMBL213232 0.76 CNR1 (0.49) CNR2CNR1CFTR

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