SCHEMBL214048

SCHEMBL214048

O=C(N[C@@H]1CCCC[C@H]1O)c1nc(-c2ccc(Cl)cc2)c(OCC2CC2)nc1C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 18/20 0.68
CNR2 P34972 7/20 0.68

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
SCHEMBL212405 0.91 CNR1 (0.61) CNR1CNR2
SCHEMBL212661 0.90 CNR1 (0.61) CNR1CNR2
SCHEMBL14856849 0.87 CNR1 (0.62) CNR1CNR2
SCHEMBL214387 0.87 CNR1 (0.61) CNR1CNR2
SCHEMBL2702757 0.83 CNR1 (0.67) CNR1CNR2
SCHEMBL213838 0.83 TRPV1 (0.52) CNR1CNR2
SCHEMBL1018532 0.82 CNR1 (0.46) CNR1CNR2
SCHEMBL211995 0.82 CNR1 (0.56) CNR1CNR2
SCHEMBL213558 0.81 CNR1 (0.55) CNR1CNR2
SCHEMBL10031414 0.78 CNR1 (0.61) CNR1CNR2

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
WO-2012031817-A1 DETERMINATION OF ABCA1 PROTEIN LEVELS IN CELLS F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
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