SCHEMBL10768815

SCHEMBL10768815

C[C@H](NC(=O)[C@H](Br)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.59
▸ ACE2 Q9BYF1 4/20 0.56
▸ LTA4H P09960 5/20 0.56
▸ LMNA P02545 1/20 0.55

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
SCHEMBL10768813 1.00 ACE (0.59) ACEACE2LTA4HLMNA
SCHEMBL10760730 0.96 ACE (0.55) ACEACE2LTA4HLMNA
SCHEMBL10763909 0.88 ACE (0.57) ACE
SCHEMBL10866591 0.87 KLK5 (0.54) ACE
SCHEMBL10764016 0.87 CMA1 (0.54) ACE
SCHEMBL9069203 0.87 ACE (0.60) ACEACE2LTA4HLMNA
SCHEMBL9090988 0.87 ACE (0.60) ACEACE2LTA4HLMNA
SCHEMBL7383518 0.87 ACE (0.62) ACEACE2LTA4HLMNA
SCHEMBL9069201 0.87 ACE (0.60) ACEACE2LTA4HLMNA
SCHEMBL9068758 0.87 ACE (0.60) ACEACE2LTA4HLMNA

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-0230922-A2 Use of peptides in the preparation of agents for the treatment of coronary diseases or organic brain syndrome BOEHRINGER INGELHEIM KG (DE) 1987-08-05 — — EP disclosed
EP-0174571-A2 Derivatives of amino acids, process for their preparation and pharmaceutical compositions BOEHRINGER INGELHEIM KG (DE) 1986-03-19 — — EP disclosed
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