SCHEMBL2654698

SCHEMBL2654698

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.53
KCNH2 Q12809 6/20 0.53
LIPE Q05469 2/20 0.38
HRH3 Q9Y5N1 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 1/20 0.34
GRM5 P41594 2/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL2656078 0.90 GCK (0.56) GCKKCNH2LIPEHRH3GRM5
SCHEMBL1427115 0.89 GCK (0.54) GCKKCNH2LIPEHRH3MEN1
SCHEMBL1379103 0.84 GCK (0.76) GCKKCNH2
SCHEMBL1427058 0.84 GCK (0.58) GCKKCNH2LIPEHRH3MEN1
SCHEMBL2655987 0.83 GCK (0.53) GCKKCNH2LIPEHRH3MEN1
SCHEMBL1427136 0.83 GCK (0.74) GCKKCNH2
SCHEMBL2654354 0.82 GCK (0.60) GCKKCNH2
SCHEMBL1427062 0.82 GCK (0.62) GCKKCNH2LIPEHRH3
SCHEMBL1652809 0.82 GCK (0.62) GCKKCNH2LIPEHRH3
SCHEMBL2667106 0.81 GCK (0.49) GCKKCNH2LIPEHRH3MEN1

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