SCHEMBL10940312

SCHEMBL10940312

C[C@H](NC(=O)[C@H](CSC(=O)c1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.58
▸ ACE2 Q9BYF1 6/20 0.58
▸ PREP P48147 1/20 0.52
▸ FAP Q12884 1/20 0.52
▸ TSHR P16473 1/20 0.51

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
SCHEMBL10942781 1.00 ACE (0.58) ACEACE2PREPFAPTSHR
SCHEMBL10940307 1.00 ACE (0.58) ACEACE2PREPFAPTSHR
SCHEMBL10942786 1.00 ACE (0.58) ACEACE2PREPFAPTSHR
SCHEMBL10944362 0.89 TSHR (0.60) ACEACE2TSHR
SCHEMBL10944342 0.89 TSHR (0.60) ACEACE2TSHR
SCHEMBL10942254 0.89 TSHR (0.60) ACEACE2TSHR
SCHEMBL10942263 0.89 TSHR (0.60) ACEACE2TSHR
SCHEMBL10733989 0.86 ACE (0.64) ACEACE2PREPFAPTSHR
SCHEMBL10731797 0.86 ACE (0.64) ACEACE2PREPFAPTSHR
SCHEMBL10940703 0.86 ACE (0.49) ACEACE2

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
US-4500467-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS BASF AKTIENGESELLSCAFT (DE) 1985-02-19 — — US disclosed
EP-0110224-A2 Benzoylthio compounds, their manufacture and use as medicines BASF Aktiengesellschaft (DE) 1984-06-13 — — EP disclosed
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