SCHEMBL1439458

SCHEMBL1439458

CCC(COC)Oc1cc(Oc2ccc(S(C)(=O)=O)nc2)cc(C(=O)NN=NC2=CC=COC2C)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GCK P35557 20/20 0.46
KCNH2 Q12809 4/20 0.36

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
SCHEMBL19793111 0.78 GCK (0.55) GCKKCNH2
SCHEMBL19792905 0.78 GCK (0.55) GCKKCNH2
SCHEMBL19793113 0.77 GCK (0.54) GCKKCNH2
SCHEMBL19793123 0.77 GCK (0.54) GCKKCNH2
SCHEMBL3609595 0.74 GCK (0.56) GCKKCNH2
SCHEMBL13255207 0.74 GCK (0.56) GCKKCNH2
SCHEMBL669917 0.73 GCK (0.70) GCKKCNH2
SCHEMBL13255202 0.73 GCK (0.70) GCKKCNH2
SCHEMBL21193748 0.69 GCK (0.55) GCKKCNH2
SCHEMBL19792898 0.69 GCK (0.55) 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-2473047-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck Sharp & Dohme Corp. (US) 2012-07-11 EP disclosed
WO-2011028455-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2011-03-10 WO disclosed