SCHEMBL212405

SCHEMBL212405

O=C(N[C@@H]1CCCC[C@H]1O)c1nc(-c2ccc(Cl)c(Cl)c2)c(OCC2CC2)nc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.61
CNR2 P34972 7/20 0.61
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL211995 0.92 CNR1 (0.56) CNR1CNR2TRPV1
SCHEMBL214048 0.91 CNR1 (0.68) CNR1CNR2
SCHEMBL212661 0.89 CNR1 (0.61) CNR1CNR2
SCHEMBL14856871 0.88 CNR1 (0.55) CNR1CNR2
SCHEMBL213702 0.86 CNR1 (0.56) CNR1CNR2TRPV1
SCHEMBL214132 0.85 CNR1 (0.51) CNR1CNR2TRPV1
SCHEMBL1017320 0.83 KMO (0.43) CNR1CNR2
SCHEMBL214387 0.83 CNR1 (0.61) CNR1CNR2
SCHEMBL213558 0.81 CNR1 (0.55) CNR1CNR2TRPV1
SCHEMBL212569 0.79 CNR1 (0.54) 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 3 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