SCHEMBL2662741

SCHEMBL2662741

CC[N+]1=CC=C(Oc2cc(Oc3ccc(C(=O)N4CCC4)nc3)cc(C(=O)Nc3cnc(C)cn3)c2)C1=O

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCK P35557 19/20 0.65
KCNH2 Q12809 5/20 0.65
CYP1A2 P05177 1/20 0.41
ABCB1 P08183 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL1426495 0.81 GCK (0.72) GCKKCNH2HRH3
SCHEMBL1378945 0.81 GCK (0.82) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427143 0.80 GCK (0.70) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1652701 0.80 GCK (0.85) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427054 0.80 GCK (0.85) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2074563 0.79 GCK (0.65) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2075774 0.79 GCK (0.65) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2072486 0.79 GCK (0.65) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL2656565 0.79 GCK (0.64) GCKKCNH2CYP1A2ABCB1CYP3A4
SCHEMBL1427220 0.79 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086964-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK Astra Zeneca AB (SE) 2009-08-12 EP disclosed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO disclosed