SCHEMBL9978231

SCHEMBL9978231

CC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.61
PTGS2 P35354 2/20 0.50
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
TACR2 P21452 1/20 0.45
MAPT P10636 2/20 0.44
CNR2 P34972 1/20 0.43
CTSA P10619 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL440662 0.89 CNR1 (0.62) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL9978182 0.88 CNR1 (0.49) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2115870 0.82 CNR1 (0.56) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL14783565 0.82 CNR1 (0.55) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL14762057 0.82 CNR1 (0.66) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL9978236 0.81 CNR1 (0.48) CNR1PTGS2TACR2CTSA
SCHEMBL2114635 0.81 CNR1 (0.52) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL9978233 0.81 CNR1 (0.46) CNR1PTGS2KCNH2SCN5ASCN2A
SCHEMBL2714123 0.80 SCN9A (0.43) CNR1PTGS2SCN5AMAPTCNR2
SCHEMBL14762241 0.80 CNR1 (0.58) CNR1PTGS2KCNH2SCN5ASCN2A

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
WO-2012080144-A1 OXIME COMPOUNDS AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed