SCHEMBL11282561

SCHEMBL11282561

CC(=O)SCC(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.56
▸ OPRM1 P35372 3/20 0.54
▸ OPRD1 P41143 1/20 0.48
▸ ACE P12821 1/20 0.47
▸ CMA1 P23946 1/20 0.46

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
SCHEMBL683119 1.00 SLC6A2 (0.56) SLC6A2OPRM1OPRD1ACECMA1
Alacepril SCHEMBL5058556 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
Alacepril SCHEMBL28035498 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
Alacepril SCHEMBL20126832 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
Alacepril SCHEMBL3204613 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
Alacepril SCHEMBL677447 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
Alacepril SCHEMBL34559 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
Alacepril SCHEMBL683027 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
Alacepril SCHEMBL11460465 0.93 ACE (0.55) SLC6A2OPRM1ACECMA1
SCHEMBL683073 0.92 SLC6A2 (0.54) SLC6A2OPRM1OPRD1ACECMA1

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-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
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