SCHEMBL213341

SCHEMBL213341

CC(O)(CNC(=O)c1nc(-c2cccc(Cl)c2)c(OCC(F)(F)F)nc1C(F)(F)F)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.43
GABRA5 P31644 1/20 0.39
VEGFA P15692 3/20 0.39
FLT1 P17948 3/20 0.39
EGLN1 Q9GZT9 3/20 0.39
EGLN3 Q9H6Z9 3/20 0.39
CNR2 P34972 11/20 0.38
CFTR P13569 1/20 0.37
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGDS O60760 1/20 0.35
TET3 O43151 1/20 0.35
BBOX1 O75936 1/20 0.35
ASPH Q12797 1/20 0.35
TET2 Q6N021 1/20 0.35
KDM8 Q8N371 1/20 0.35
OGFOD1 Q8N543 1/20 0.35

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
SCHEMBL212545 0.92 CNR1 (0.53) CNR1GABRA5VEGFAFLT1EGLN1
SCHEMBL213232 0.90 CNR1 (0.49) CNR1GABRA5EGLN1CNR2CFTR
SCHEMBL213032 0.89 CNR1 (0.44) CNR1CNR2CFTRCYP1A2HPGDS
SCHEMBL212544 0.89 CNR1 (0.40) CNR1GABRA5VEGFAFLT1EGLN1
SCHEMBL211872 0.89 CNR1 (0.40) CNR1GABRA5VEGFAFLT1EGLN1
SCHEMBL14856856 0.88 CNR1 (0.39) CNR1GABRA5CNR2CYP3A4CYP2C9
SCHEMBL214841 0.87 CNR1 (0.40) CNR1GABRA5CNR2CFTRCYP3A4
SCHEMBL528736 0.86 CNR1 (0.46) CNR1CNR2CYP3A4CYP2C9CYP2C19
SCHEMBL10031414 0.81 CNR1 (0.61) CNR1CNR2CFTR
SCHEMBL212570 0.81 CNR1 (0.61) 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