SCHEMBL1376580

SCHEMBL1376580

CCCOc1cc(Oc2ncc(C(=O)N3CCCC3)cc2Cl)cc(C(=O)Nc2cnc(C)cn2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 15/20 0.74
KCNH2 Q12809 6/20 0.74
GRM5 P41594 1/20 0.42
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38

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
SCHEMBL2656648 0.98 GCK (0.76) GCKKCNH2GRM5NPC1ALDH1A1
SCHEMBL2655781 0.88 GCK (0.62) GCKKCNH2CHRNB2CHRNB4CHRNA3
SCHEMBL1376577 0.87 GCK (0.80) GCKKCNH2GRM5
SCHEMBL1427001 0.86 GCK (0.97) GCKKCNH2
SCHEMBL1378353 0.86 GCK (0.82) GCKKCNH2
SCHEMBL1379103 0.85 GCK (0.76) GCKKCNH2
SCHEMBL1427266 0.85 GCK (1.00) GCKKCNH2
SCHEMBL1426947 0.85 GCK (0.78) GCKKCNH2
SCHEMBL1426864 0.85 GCK (0.85) GCKKCNH2
SCHEMBL1380712 0.83 GCK (0.75) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4651714-B2 2011-03-16 JP claimed
EP-1902052-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES AstraZeneca AB (SE) 2008-03-26 EP claimed
WO-2007007041-A1 HETEROARYL BENZAMIDE DERIVATIVES FOR USE AS GLK ACTIVATORS IN THE TREATMENT OF DIABETES ASTRAZENECA AB (SE) 2007-01-18 WO claimed
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