SCHEMBL11459782

SCHEMBL11459782

CCC(=O)SCC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O.CCC(=O)SCC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.54
ACE2 Q9BYF1 5/20 0.52
CMA1 P23946 2/20 0.52
SLC6A2 P23975 1/20 0.51
DPP3 Q9NY33 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL683506 1.00 ACE (0.54) ACEACE2CMA1SLC6A2DPP3
SCHEMBL11278066 1.00 ACE (0.54) ACEACE2CMA1SLC6A2DPP3
SCHEMBL683447 0.93 SLC6A2 (0.53) ACESLC6A2
SCHEMBL11279274 0.93 CMA1 (0.53) ACEACE2CMA1SLC6A2DPP3
SCHEMBL11287257 0.93 ACE (0.54) ACEACE2CMA1SLC6A2DPP3
Alacepril SCHEMBL683027 0.91 ACE (0.55) ACEACE2CMA1SLC6A2DPP3
Alacepril SCHEMBL5058556 0.91 ACE (0.55) ACEACE2CMA1SLC6A2DPP3
Alacepril SCHEMBL3204613 0.91 ACE (0.55) ACEACE2CMA1SLC6A2DPP3
Alacepril SCHEMBL11460465 0.91 ACE (0.55) ACEACE2CMA1SLC6A2DPP3
Alacepril SCHEMBL34559 0.91 ACE (0.55) ACEACE2CMA1SLC6A2DPP3

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-0007477-A1 1-(3-Mercapto-2-methylpropanoyl)prolyl amino acid derivatives and salts thereof, processes for their preparation, and pharmaceutical compositions containing such compounds Dainippon Pharmaceutical Co., Ltd. (JP) 1980-02-06 EP disclosed