SCHEMBL5713129

SCHEMBL5713129

CS(=O)(=O)NCCC[C@H](N)C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 15/20 0.48
DPP4 P27487 5/20 0.48
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
CNR2 P34972 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
SCHEMBL5713132 1.00 DPP7 (0.48) DPP7DPP4DPP8DPP9ITGB3
Hydrochloric Acid SCHEMBL6767883 0.99 DPP7 (0.47) DPP7DPP4DPP8DPP9ITGB3
Hydrochloric Acid SCHEMBL6767887 0.99 DPP7 (0.47) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL6763864 0.96 DPP7 (0.47) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL7293680 0.96 DPP7 (0.47) DPP7DPP4DPP8DPP9ITGB3
SCHEMBL7298630 0.91 DPP7 (0.50) DPP7DPP4DPP8
SCHEMBL7298625 0.91 DPP7 (0.50) DPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6768443 0.90 DPP7 (0.49) DPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6768444 0.90 DPP7 (0.49) DPP7DPP4DPP8
SCHEMBL7301373 0.87 DPP7 (0.40) DPP7DPP4DPP8DPP9ITGB3

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-1245568-B1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) SERVIER LAB (FR) 2006-01-18 EP disclosed
EP-1245568-A1 Sulfonyl derivatives of amino acids and their use as inhibitors of dipeptidyl-peptidase IV (DPP IV) Les Laboratoires Servier (FR) 2002-10-02 EP disclosed