SCHEMBL1493836

SCHEMBL1493836

CCn1ccc(NC(=O)c2cc(Oc3ncc(C(=O)N4CCC4)cc3Cl)cc(OC(C)COC)c2)n1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.75
KCNH2 Q12809 9/20 0.75
CYP1A2 P05177 1/20 0.51
ABCB1 P08183 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL1380017 1.00 GCK (0.75) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1380710 0.92 GCK (0.65) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1377774 0.91 GCK (0.77) GCKKCNH2
SCHEMBL1654969 0.86 GCK (0.78) GCKKCNH2
SCHEMBL1426965 0.86 GCK (0.78) GCKKCNH2
SCHEMBL1384872 0.86 GCK (0.78) GCKKCNH2
SCHEMBL1426806 0.86 GCK (0.83) GCKKCNH2
SCHEMBL1427266 0.86 GCK (1.00) GCKKCNH2
SCHEMBL1655054 0.85 GCK (0.80) GCKKCNH2
SCHEMBL1426413 0.85 GCK (0.80) 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
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