SCHEMBL2704792

SCHEMBL2704792

Cc1nc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)cc1C(=O)NC1CCCC[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 0.71
TACR2 P21452 1/20 0.55
CNR2 P34972 2/20 0.54

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
SCHEMBL2703084 1.00 CNR1 (0.71) CNR1TACR2CNR2
SCHEMBL529258 0.90 CNR1 (0.72) CNR1TACR2CNR2
SCHEMBL4241624 0.90 CNR1 (0.72) CNR1TACR2CNR2
SCHEMBL530331 0.90 CNR1 (0.72) CNR1TACR2CNR2
SCHEMBL11889853 0.90 CNR1 (0.72) CNR1TACR2CNR2
SCHEMBL4237824 0.90 CNR1 (0.72) CNR1TACR2CNR2
SCHEMBL532048 0.89 CNR1 (0.70) CNR1TACR2CNR2
SCHEMBL2703667 0.88 CNR1 (0.70) CNR1TACR2CNR2
SCHEMBL9973792 0.83 CNR1 (0.74) CNR1TACR2CNR2
SCHEMBL9932180 0.83 CNR1 (1.00) CNR1TACR2CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 EP claimed