SCHEMBL3796746

SCHEMBL3796746

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1[C]=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.49
DPP7 Q9UHL4 7/20 0.49
DPP8 Q6V1X1 3/20 0.49
DPP9 Q86TI2 2/20 0.49
FAP Q12884 1/20 0.40
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
ACE P12821 2/20 0.39
ACE2 Q9BYF1 1/20 0.39
PREP P48147 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
SCHEMBL1246768 0.92 DPP4 (0.42) DPP4DPP7DPP8DPP9FAP
SCHEMBL1246765 0.92 DPP4 (0.42) DPP4DPP7DPP8DPP9FAP
SCHEMBL2182440 0.90 DPP4 (0.52) DPP4DPP7DPP8DPP9FAP
SCHEMBL3055324 0.87 DPP4 (0.44) DPP4DPP7DPP8DPP9FAP
SCHEMBL8760014 0.84 ACE (0.53) ACE
SCHEMBL8760024 0.84 ACE (0.53) ACE
SCHEMBL10782979 0.84 ACE (0.53) ACE
SCHEMBL10783008 0.84 ACE (0.53) ACE
SCHEMBL9450511 0.84 DPP4 (0.45) DPP4DPP7DPP8DPP9ITGB3
SCHEMBL2182382 0.83 DPP7 (0.52) DPP4DPP7DPP8DPP9FAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235038-A1 PEPTIDE COMBINATION GKL-Biotec AG (CH) 2010-10-06 EP disclosed
WO-2010075849-A1 PEPTIDE COMBINATION GKL-BIOTEC AG (CH) 2010-07-08 WO disclosed
WO-2007090022-A2 NOVEL COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE BRACCO INTERNATIONAL B.V. (NL) 2007-08-09 WO disclosed