SCHEMBL11271096

SCHEMBL11271096

CC(CSC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 8/20 0.55
ACE P12821 7/20 0.53
ACE2 Q9BYF1 4/20 0.51
SLC6A2 P23975 1/20 0.50
ELANE P08246 1/20 0.49
CTSG P08311 1/20 0.49
DPP3 Q9NY33 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
SCHEMBL683520 1.00 CMA1 (0.55) CMA1ACEACE2SLC6A2ELANE
SCHEMBL683120 0.93 SLC6A2 (0.52) CMA1ACESLC6A2
SCHEMBL11276961 0.91 CMA1 (0.54) CMA1ACEACE2
SCHEMBL683525 0.91 CMA1 (0.48) CMA1ACEACE2SLC6A2
Alacepril SCHEMBL11460465 0.90 ACE (0.55) CMA1ACEACE2SLC6A2DPP3
Alacepril SCHEMBL5058556 0.90 ACE (0.55) CMA1ACEACE2SLC6A2DPP3
Alacepril SCHEMBL34559 0.90 ACE (0.55) CMA1ACEACE2SLC6A2DPP3
Alacepril SCHEMBL3204613 0.90 ACE (0.55) CMA1ACEACE2SLC6A2DPP3
Alacepril SCHEMBL677447 0.90 ACE (0.55) CMA1ACEACE2SLC6A2DPP3
Alacepril SCHEMBL683027 0.90 ACE (0.55) CMA1ACEACE2SLC6A2DPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007477-B1 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) 1982-04-28 EP claimed
US-4248883-A ANTIHYPERTENSION AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1981-02-03 US claimed
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 claimed
EP-0007477-B1 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) 1982-04-28 EP disclosed
US-4248883-A ANTIHYPERTENSION AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1981-02-03 US disclosed
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