SCHEMBL2667113

SCHEMBL2667113

CN1C(=O)c2ccc(Oc3cc(O)cc(C(=O)Nc4ccn(C)n4)c3)cc2OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KCNH2 Q12809 5/20 0.44
HPGDS O60760 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 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
SCHEMBL1776232 0.85 GCK (0.61) GCKKCNH2
SCHEMBL1775917 0.84 GCK (0.64) GCKKCNH2
SCHEMBL2667121 0.83 GCK (0.46) GCKKCNH2HPGDSNPC1RAB9A
SCHEMBL1775477 0.77 GCK (0.58) GCKKCNH2
SCHEMBL2654946 0.73 NPC1 (0.52) GCKKCNH2HPGDSNPC1RAB9A
SCHEMBL2667078 0.72 NPC1 (0.66) GCKKCNH2HPGDSNPC1RAB9A
SCHEMBL2659386 0.72 GCK (0.78) GCKKCNH2
SCHEMBL1775877 0.72 GCK (0.61) GCKKCNH2
SCHEMBL1775775 0.72 GCK (0.62) GCKKCNH2
SCHEMBL1427233 0.71 GCK (0.63) GCKKCNH2NPC1RAB9A

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
WO-2006125972-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2006-11-30 WO disclosed