SCHEMBL4779901

SCHEMBL4779901

CC(CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2F)cc(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 13/20 0.52
KCNH2 Q12809 10/20 0.52
S1PR2 O95136 2/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A4 P31645 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
DPP4 P27487 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
SCHEMBL2902043 1.00 GCK (0.52) GCKKCNH2S1PR2MEN1GAA
SCHEMBL2898939 0.90 GCK (0.53) GCKKCNH2MEN1GAAHTT
SCHEMBL1147005 0.90 GCK (0.53) GCKKCNH2
SCHEMBL13891563 0.90 GCK (0.53) GCKKCNH2
SCHEMBL13292214 0.88 GCK (0.54) GCKKCNH2MEN1GAAHTT
SCHEMBL2174199 0.86 GCK (0.67) GCKKCNH2
SCHEMBL2085635 0.85 GCK (0.43) GCKKCNH2S1PR2
SCHEMBL2087153 0.85 GCK (0.43) GCKKCNH2S1PR2
SCHEMBL2654104 0.83 GCK (0.79) GCKKCNH2
SCHEMBL4779278 0.83 GCK (0.79) 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-1992623-A1 Heteroaryl benzamide derivative for use as GLK activator in the treatment of diabetes Astra Zeneca AB (SE) 2008-11-19 EP disclosed