SCHEMBL4013474

SCHEMBL4013474

C[C@](O)(CNC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)n1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.54
CNR2 P34972 6/20 0.47
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
GABRA5 P31644 2/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL3924944 0.92 CNR1 (0.45) CNR1CNR2SCN10AHPGDS
SCHEMBL3812006 0.86 CNR1 (0.49) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL213232 0.85 CNR1 (0.49) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL4013402 0.84 CNR1 (0.64) CNR1CNR2KCNH2SCN5ASCN2A
SCHEMBL4013626 0.83 CNR1 (0.56) CNR1CNR2
SCHEMBL4014812 0.83 CNR1 (0.54) CNR1CNR2
SCHEMBL4009905 0.83 CNR1 (0.54) CNR1CNR2
SCHEMBL4012883 0.83 CNR1 (0.54) CNR1CNR2
SCHEMBL3915821 0.83 CNR1 (0.52) CNR1CNR2
SCHEMBL3924890 0.83 CNR1 (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 EP disclosed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO disclosed