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SCHEMBL1493763

SCHEMBL1493763

CC(CO)Oc1cc(Oc2ncc(C(=O)N3CCC3)cc2Cl)cc(C(=O)Nc2ccn(C(C)C)n2)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 20/20 0.75
▸ KCNH2 Q12809 12/20 0.75
▸ CYP1A2 P05177 1/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C8 P10632 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46

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
SCHEMBL1381379 1.00 GCK (0.75) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427319 0.90 GCK (0.63) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2658745 0.88 GCK (0.79) GCKKCNH2
SCHEMBL4776916 0.88 GCK (0.79) GCKKCNH2
SCHEMBL1381344 0.87 GCK (0.67) GCKKCNH2
SCHEMBL1377326 0.87 GCK (0.71) GCKKCNH2
SCHEMBL1426864 0.87 GCK (0.85) GCKKCNH2
SCHEMBL1652618 0.86 GCK (0.66) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427117 0.86 GCK (0.66) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2930417 0.86 GCK (1.00) 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