SCHEMBL471732

SCHEMBL471732

CC(CC(N)=O)[C@H](N)C(=O)N1CCSC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.73
DPP7 Q9UHL4 8/20 0.73
DPP8 Q6V1X1 4/20 0.73
DPP9 Q86TI2 3/20 0.73
KCNH2 Q12809 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
SCHEMBL353709 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL846295 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL356202 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL12291433 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9
SCHEMBL392505 0.84 DPP4 (1.00) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5708931 0.83 DPP4 (0.97) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5708932 0.83 DPP4 (0.97) DPP4DPP7DPP8DPP9
SCHEMBL14567036 0.79 DPP4 (0.45) DPP4DPP7DPP8DPP9
Fumaric Acid SCHEMBL21638348 0.77 DPP4 (0.84) DPP4DPP7DPP8DPP9
SCHEMBL28071366 0.74 DPP4 (0.82) DPP4DPP7DPP8DPP9

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-1671649-B1 Dipeptidyl peptidase IV inhibitors for treating diabetic patients with sulfonylurea secondary failure TAKEDA PHARMACEUTICAL (JP) 2011-11-23 EP disclosed