SCHEMBL2667141

SCHEMBL2667141

C[C@@H](CO)Oc1cc(Oc2ccc3c(c2)OCN(C)C3=O)cc(C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.40
KCNH2 Q12809 7/20 0.39
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
PIK3CG P48736 3/20 0.34
PIK3CB P42338 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
SCHEMBL2667123 0.91 GCK (0.40) GCKKCNH2
SCHEMBL9072484 0.90 PARP10 (0.40) GCKKCNH2F2PRSS1PRSS2
SCHEMBL1775968 0.82 GCK (0.45) GCKKCNH2
SCHEMBL1774528 0.82 GCK (0.62) GCKKCNH2
SCHEMBL1776155 0.81 KMT2A (0.39) GCKKCNH2
SCHEMBL1775951 0.81 GCK (0.63) GCKKCNH2
SCHEMBL1775822 0.80 MAPT (0.39) GCKKCNH2
SCHEMBL1776886 0.76 GCK (0.64) GCKKCNH2
SCHEMBL1775725 0.75 GCK (0.63) GCKKCNH2
SCHEMBL1775310 0.74 GCK (0.48) 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