SCHEMBL2667150

SCHEMBL2667150

Cn1ccc(NC(=O)c2cc(O)cc(Oc3ccc(C(=O)N4CCC4)nc3)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 18/20 0.62
KCNH2 Q12809 9/20 0.62
CYP1A2 P05177 1/20 0.48
ABCB1 P08183 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2B6 P20813 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGDS O60760 1/20 0.44

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
SCHEMBL12781656 0.98 GCK (0.59) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1377401 0.89 GCK (0.79) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2667094 0.89 GCK (0.59) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2659386 0.88 GCK (0.78) GCKKCNH2
SCHEMBL1376087 0.87 GCK (0.70) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2667027 0.87 GCK (0.57) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427371 0.87 GCK (0.80) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427290 0.86 GCK (0.81) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427077 0.86 GCK (0.71) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1426495 0.85 GCK (0.72) 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 4 patents. 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
EP-2301929-A1 Heteroaryl benzamide derivatives for use as GLK activators in the treatment of diabetes AstraZeneca AB (Publ) (SE) 2011-03-30 EP disclosed
EP-2301935-A1 Heteroaryl benzamide derivatives for use as GLK activators in the treatment of diabetes AstraZeneca AB (Publ) (SE) 2011-03-30 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