SCHEMBL7361785

SCHEMBL7361785

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

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.59
▸ ACE2 Q9BYF1 9/20 0.54
▸ 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
SCHEMBL7361782 1.00 ACE (0.59) ACEACE2TSHR
SCHEMBL10942007 0.93 ACE (0.58) ACEACE2TSHR
SCHEMBL7330602 0.87 ACE (0.66) ACEACE2TSHR
SCHEMBL10679400 0.85 ACE (0.66) ACEACE2TSHR
SCHEMBL7365884 0.84 ACE (0.61) ACEACE2
SCHEMBL7361792 0.84 ACE (0.61) ACEACE2
SCHEMBL5496422 0.82 ACE (0.69) ACEACE2
SCHEMBL7367708 0.81 ACE (0.47) ACEACE2
SCHEMBL10847172 0.80 ACE (0.51) ACEACE2
SCHEMBL27890165 0.80 ACE (0.73) 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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