SCHEMBL2659231

SCHEMBL2659231

CS(=O)(=O)c1ccc(C(CC2CCCCO2)C(=O)Nc2nccs2)cc1CF

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.64
GCK P35557 13/20 0.56
FFAR2 O15552 2/20 0.45
SCN5A Q14524 2/20 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
SCHEMBL14423116 0.88 KCNH2 (0.63) KCNH2GCKFFAR2SCN5A
SCHEMBL2642308 0.88 KCNH2 (0.63) KCNH2GCKFFAR2SCN5A
SCHEMBL2642073 0.85 GCK (0.76) KCNH2GCKFFAR2
SCHEMBL2642135 0.82 GCK (0.75) KCNH2GCKFFAR2
SCHEMBL2642057 0.81 FFAR2 (0.56) KCNH2GCKFFAR2SCN5A
SCHEMBL14423112 0.81 FFAR2 (0.56) KCNH2GCKFFAR2SCN5A
SCHEMBL14423113 0.81 FFAR2 (0.56) KCNH2GCKFFAR2SCN5A
SCHEMBL2642131 0.81 FFAR2 (0.56) KCNH2GCKFFAR2SCN5A
SCHEMBL2657428 0.79 KCNH2 (0.84) KCNH2GCKFFAR2
SCHEMBL2646398 0.79 KCNH2 (0.84) KCNH2GCKFFAR2

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-2003095438-A9 SUBSTITUTED PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-12-23 WO claimed