SCHEMBL2656078

SCHEMBL2656078

COC(=O)c1cc(OCC(F)CF)cc(Oc2ncc(C(=O)N3CCC3)cc2Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.56
KCNH2 Q12809 7/20 0.56
GRM5 P41594 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LIPE Q05469 1/20 0.37
LRRK2 Q5S007 2/20 0.35
SCN9A Q15858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2654698 0.90 GCK (0.53) GCKKCNH2GRM5HRH3LIPE
SCHEMBL1426968 0.89 GCK (0.58) GCKKCNH2GRM5HRH3LIPE
SCHEMBL1379103 0.85 GCK (0.76) GCKKCNH2
SCHEMBL1427174 0.85 GCK (0.75) GCKKCNH2
SCHEMBL1652741 0.84 GCK (0.64) GCKKCNH2GRM5HRH3
SCHEMBL1427090 0.84 GCK (0.64) GCKKCNH2GRM5HRH3
SCHEMBL2654354 0.83 GCK (0.60) GCKKCNH2
SCHEMBL9072230 0.82 GCK (0.53) GCKKCNH2GRM5HRH3LIPE
SCHEMBL1427115 0.79 GCK (0.54) GCKKCNH2GRM5HRH3LIPE
SCHEMBL1427136 0.77 GCK (0.74) GCKKCNH2

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-1902052-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-03-26 EP disclosed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO disclosed