SCHEMBL7365884

SCHEMBL7365884

C[C@H](NCC(O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.61
▸ ACE2 Q9BYF1 9/20 0.61
▸ BACE1 P56817 1/20 0.53

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
SCHEMBL7361792 1.00 ACE (0.61) ACEACE2BACE1
SCHEMBL11004279 0.92 ACE (0.61) ACEACE2
SCHEMBL10944258 0.92 ACE (0.61) ACEACE2
SCHEMBL11038053 0.88 ACE (0.65) ACEACE2
SCHEMBL11038051 0.88 ACE (0.65) ACEACE2
SCHEMBL7361782 0.84 ACE (0.59) ACEACE2
SCHEMBL7361785 0.84 ACE (0.59) ACEACE2
SCHEMBL7321808 0.84 ACE (0.65) ACEACE2
SCHEMBL7321819 0.84 ACE (0.65) ACEACE2
SCHEMBL10786140 0.84 ACE (0.56) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4514391-A HYPOTENSIVE AGENTS; ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1985-04-30 — — US claimed
EP-0132304-A2 Hydroxy substituted peptide compounds E.R. Squibb & Sons, Inc. (US) 1985-01-30 — — EP claimed
US-4514391-A HYPOTENSIVE AGENTS; ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1985-04-30 — — US disclosed
EP-0132304-A2 Hydroxy substituted peptide compounds E.R. Squibb & Sons, Inc. (US) 1985-01-30 — — EP disclosed
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