SCHEMBL470674

SCHEMBL470674

C=C(CNC(=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nn1)/N=C(\ON)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.43
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CNR2 P34972 5/20 0.32
MALT1 Q9UDY8 3/20 0.32
MAPT P10636 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31

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
SCHEMBL9978183 0.77 CNR1 (0.39) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL9931687 0.73 CNR1 (0.39) CNR1SCN5ACNR2MAPTEGLN1
SCHEMBL15512416 0.73 CNR1 (0.39) CNR1SCN5ACNR2MAPTEGLN1
SCHEMBL9931688 0.73 CNR1 (0.39) CNR1SCN5ACNR2MAPTEGLN1
SCHEMBL412410 0.73 CNR1 (0.44) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL410983 0.73 CNR1 (0.48) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL410639 0.73 CNR1 (0.44) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL441810 0.73 CNR1 (0.44) CNR1KCNH2SCN5ASCN2ASCN10A
SCHEMBL9973791 0.72 CNR1 (0.53) CNR1CNR2
SCHEMBL9978235 0.72 CNR2 (0.47) CNR1KCNH2SCN5ASCN2ASCN10A

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-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed