SCHEMBL10731797

SCHEMBL10731797

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

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 14/20 0.64
▸ ACE2 Q9BYF1 7/20 0.64
▸ PREP P48147 1/20 0.55
▸ FAP Q12884 1/20 0.55
▸ TSHR P16473 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
SCHEMBL10733989 1.00 ACE (0.64) ACEACE2PREPFAPTSHR
SCHEMBL9098688 0.89 ACE (0.74) ACEACE2
SCHEMBL7272049 0.89 ACE (0.74) ACEACE2
SCHEMBL10736853 0.87 ACE (0.61) ACEACE2
SCHEMBL11435575 0.87 ACE (0.71) ACEACE2PREPFAPTSHR
SCHEMBL3472327 0.87 ACE (0.71) ACEACE2PREPFAPTSHR
SCHEMBL29749309 0.87 ACE (0.71) ACEACE2PREPFAPTSHR
SCHEMBL10942786 0.86 ACE (0.58) ACEACE2PREPFAPTSHR
SCHEMBL10940312 0.86 ACE (0.58) ACEACE2PREPFAPTSHR
SCHEMBL10940307 0.86 ACE (0.58) ACEACE2PREPFAPTSHR

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
US-4642315-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-02-10 — — US disclosed
US-4587234-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1986-05-06 — — US disclosed
US-4499079-A ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-12 — — US disclosed
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