SCHEMBL2665845

SCHEMBL2665845

CS(=O)(=O)c1ccc([C@@H](C[C@@H]2CCC(O)C2)C(=O)Nc2cnccn2)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.81
GCK P35557 13/20 0.75
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
FFAR2 O15552 2/20 0.41
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL2659470 1.00 KCNH2 (0.81) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642114 1.00 KCNH2 (0.81) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642116 1.00 KCNH2 (0.81) KCNH2GCKGAATHRBFFAR2
SCHEMBL2647237 0.90 KCNH2 (1.00) KCNH2GCKGAATHRBFFAR2
SCHEMBL2647239 0.90 KCNH2 (1.00) KCNH2GCKGAATHRBFFAR2
SCHEMBL2662844 0.90 KCNH2 (1.00) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642782 0.87 KCNH2 (0.74) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642783 0.87 KCNH2 (0.74) KCNH2GCKGAATHRBFFAR2
SCHEMBL2642181 0.87 KCNH2 (0.85) KCNH2GCK
SCHEMBL2642219 0.87 GCK (0.90) KCNH2GCKGAATHRBFFAR2

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 disclosed