SCHEMBL2367694

SCHEMBL2367694

NC(CCCCNC(=O)c1ccc(S)nc1)C(=O)N1CCSC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.55
DPP7 Q9UHL4 9/20 0.55
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
KCNH2 Q12809 1/20 0.38

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
SCHEMBL13852673 0.81 DPP4 (0.47) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL12291405 0.81 TGM2 (0.45) DPP4DPP7DPP8DPP9
SCHEMBL2367543 0.80 DPP4 (0.42) DPP4DPP7DPP8DPP9
SCHEMBL5355999 0.78 DPP4 (0.58) DPP4DPP7DPP8DPP9
Hydrochloric Acid SCHEMBL5346118 0.77 DPP4 (0.57) DPP4DPP7DPP8DPP9
SCHEMBL14558294 0.76 DPP4 (0.51) DPP4DPP7DPP8DPP9
SCHEMBL14558297 0.76 DPP4 (0.52) DPP4DPP7DPP8DPP9KCNH2
SCHEMBL2859755 0.74 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL2859760 0.74 DPP4 (0.58) DPP4DPP7DPP8DPP9
SCHEMBL10078258 0.71 DPP4 (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP claimed
WO-2011113895-A2 CHARACTERIZATION AND VALIDATION OF INHIBITORS AND LIGANDS OF DIPEPTIDYL AMINOPEPTIDASE IV (DP IV) IMTM GMBH (DE) 2011-09-22 WO disclosed
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP disclosed
EP-2366394-A1 Characterization and validation of inhibitors and ligands of dipeptidyl aminopeptidase IV (DP IV) IMTM GmbH (DE) 2011-09-21 EP disclosed