SCHEMBL2667145

SCHEMBL2667145

CN1CCOc2c(ccc(Oc3cc(O)cc(C(=O)Nc4ccn(C)n4)c3)c2Cl)C1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.41
KCNH2 Q12809 5/20 0.41
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
ACACB O00763 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36

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
SCHEMBL1776034 0.90 GCK (0.54) GCKKCNH2
SCHEMBL2667142 0.89 CPT1A (0.36) GCKKCNH2CPT1ACPT1BACACB
SCHEMBL1776159 0.88 GCK (0.56) GCKKCNH2
SCHEMBL9072424 0.87 GCK (0.41) GCKKCNH2ACACB
SCHEMBL1775249 0.86 GCK (0.57) GCKKCNH2
SCHEMBL1774772 0.86 GCK (0.59) GCKKCNH2
SCHEMBL2667132 0.83 ACACB (0.40) CPT1ACPT1BACACB
SCHEMBL2667144 0.83 ACACB (0.39) CPT1ACPT1BACACB
SCHEMBL1775130 0.81 GCK (0.57) GCKKCNH2
SCHEMBL1775166 0.79 GCK (0.49) 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 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