SCHEMBL211872

SCHEMBL211872

CC(O)(CNC(=O)c1nc(-c2cccc(Cl)c2)c(Oc2ccccc2)nc1C(F)(F)F)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.40
EGLN2 Q96KS0 5/20 0.40
EGLN1 Q9GZT9 3/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CFTR P13569 1/20 0.36
CNR2 P34972 4/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
GABRA5 P31644 1/20 0.35
PTK2 Q05397 1/20 0.35
ATM Q13315 2/20 0.34
RORC P51449 1/20 0.34
VEGFA P15692 1/20 0.34
FLT1 P17948 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.34

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
SCHEMBL213110 0.90 CNR1 (0.40) CNR1EGLN2EGLN1CYP1A2CFTR
SCHEMBL213341 0.89 CNR1 (0.43) CNR1EGLN1CYP1A2CYP2C9CYP2C19
SCHEMBL14856824 0.88 CNR1 (0.36) CNR1CYP1A2CYP2C9CYP2C19CNR2
SCHEMBL212545 0.87 CNR1 (0.53) CNR1EGLN1CYP1A2CYP2C9CYP2C19
SCHEMBL212544 0.86 CNR1 (0.40) CNR1EGLN1CFTRCNR2MAPT
SCHEMBL214841 0.86 CNR1 (0.40) CNR1CYP1A2CYP2C9CYP2C19CFTR
SCHEMBL213908 0.83 NPY2R (0.37) CNR1EGLN2EGLN1CFTRCNR2
SCHEMBL4065346 0.80 MAPT (0.43) CYP1A2CYP2C9CYP2C19MAPTHTT
SCHEMBL212640 0.79 CNR1 (0.51) CNR1CNR2
SCHEMBL14856735 0.78 CNR1 (0.36) CNR1CYP1A2CYP2C19MAPTHTT

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