SCHEMBL5713136

SCHEMBL5713136

N[C@@H](CCCNS(=O)(=O)C1CCCC1)C(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
DPP7 Q9UHL4 16/20 0.40
DPP4 P27487 8/20 0.40
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 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
SCHEMBL7291287 1.00 ITGB3 (0.41) ITGB3ITGA2BDPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6766755 0.99 ITGB3 (0.40) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL5713143 0.99 ITGB3 (0.42) ITGB3ITGA2BDPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6766760 0.99 ITGB3 (0.40) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL5713147 0.99 ITGB3 (0.42) ITGB3ITGA2BDPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6773029 0.97 ITGB3 (0.42) ITGB3ITGA2BDPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6773033 0.97 ITGB3 (0.42) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL7288938 0.97 ITGB3 (0.41) ITGB3ITGA2BDPP7DPP4DPP8
SCHEMBL7288946 0.97 ITGB3 (0.41) ITGB3ITGA2BDPP7DPP4DPP8
Hydrochloric Acid SCHEMBL6766608 0.96 ITGB3 (0.40) ITGB3ITGA2BDPP7DPP4DPP8

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