SCHEMBL213558

SCHEMBL213558

O=C(N[C@@H]1CCCC[C@H]1O)c1nc(-c2cccc(Cl)c2)c(OCC(F)(F)F)nc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.55
CNR2 P34972 5/20 0.44
TRPV1 Q8NER1 1/20 0.43
TACR2 P21452 1/20 0.40

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
SCHEMBL212661 0.92 CNR1 (0.61) CNR1CNR2
SCHEMBL211995 0.89 CNR1 (0.56) CNR1CNR2TRPV1TACR2
SCHEMBL215181 0.89 CNR1 (0.56) CNR1CNR2TRPV1TACR2
SCHEMBL14856836 0.87 CNR1 (0.50) CNR1CNR2TACR2
SCHEMBL212640 0.87 CNR1 (0.51) CNR1CNR2TRPV1
SCHEMBL212276 0.86 TRPV1 (0.46) CNR1CNR2TRPV1
SCHEMBL214048 0.81 CNR1 (0.68) CNR1CNR2
SCHEMBL212405 0.81 CNR1 (0.61) CNR1CNR2TRPV1
SCHEMBL212800 0.80 CNR1 (0.51) CNR1CNR2TRPV1TACR2
SCHEMBL1018486 0.80 PIN1 (0.40)

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