SCHEMBL2728098

SCHEMBL2728098

COCC(C)Oc1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(C(=O)Nc2nc(CC(=O)O)cs2)c1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GCK P35557 17/20 0.58
KCNH2 Q12809 3/20 0.58
GRM5 P41594 2/20 0.45

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
SCHEMBL9899926 0.92 GCK (0.59) GCKKCNH2GRM5
SCHEMBL9898915 0.92 GCK (0.59) GCKKCNH2
SCHEMBL2728096 0.90 GCK (0.46) GCKKCNH2GRM5
SCHEMBL9896541 0.90 GRM5 (0.56) GCKKCNH2GRM5
SCHEMBL9896539 0.90 GRM5 (0.56) GCKKCNH2GRM5
SCHEMBL2732434 0.89 GCK (0.54) GCKKCNH2GRM5
SCHEMBL2656713 0.87 GCK (0.63) GCKKCNH2GRM5
SCHEMBL9899358 0.87 GCK (0.53) GCKKCNH2GRM5
SCHEMBL2656193 0.86 GCK (0.62) GCKKCNH2GRM5
SCHEMBL9897564 0.86 GCK (0.52) GCKKCNH2GRM5

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-2445908-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS Cadila Healthcare Limited (IN) 2012-05-02 EP disclosed
WO-2010150280-A1 DISUBSTITUTED BENZAMIDE DERIVATIVES AS GLUCOKINASE (GK) ACTIVATORS CADILA HEALTHCARE LIMITED (IN) 2010-12-29 WO disclosed