SCHEMBL1652809

SCHEMBL1652809

CC(CO)Oc1cc(Oc2ncc(C(=O)N3CCC3)cc2Cl)cc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.62
KCNH2 Q12809 11/20 0.62
HRH3 Q9Y5N1 1/20 0.41
LIPE Q05469 1/20 0.39

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
SCHEMBL1427062 1.00 GCK (0.62) GCKKCNH2HRH3LIPE
SCHEMBL1427090 0.91 GCK (0.64) GCKKCNH2HRH3
SCHEMBL1652741 0.91 GCK (0.64) GCKKCNH2HRH3
SCHEMBL1427136 0.91 GCK (0.74) GCKKCNH2
SCHEMBL1427058 0.90 GCK (0.58) GCKKCNH2HRH3LIPE
SCHEMBL1426951 0.86 GCK (0.59) GCKKCNH2HRH3
SCHEMBL1427115 0.86 GCK (0.54) GCKKCNH2HRH3LIPE
SCHEMBL1426864 0.85 GCK (0.85) GCKKCNH2
SCHEMBL1377326 0.85 GCK (0.71) GCKKCNH2
SCHEMBL2655987 0.83 GCK (0.53) GCKKCNH2HRH3LIPE

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
EP-2305674-A1 Heteroaryl benzamide derivatives for use as GLK activators in the treatment of diabetes AstraZeneca AB (SE) 2011-04-06 EP disclosed