SCHEMBL7367708

SCHEMBL7367708

NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)O)[N+](CC(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 12/20 0.47
▸ ACE2 Q9BYF1 7/20 0.47

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 0.81 ACE (0.59) ACEACE2
SCHEMBL7361785 0.81 ACE (0.59) ACEACE2
SCHEMBL7330602 0.77 ACE (0.66) ACEACE2
SCHEMBL10942007 0.76 ACE (0.58) ACEACE2
SCHEMBL10847172 0.75 ACE (0.51) ACEACE2
SCHEMBL7365238 0.75 ACE (0.54) ACEACE2
SCHEMBL7365239 0.75 ACE (0.54) ACEACE2
SCHEMBL10679400 0.74 ACE (0.66) ACEACE2
SCHEMBL4955191 0.74 DPP8 (0.71) ACEACE2
SCHEMBL9040814 0.74 DPP8 (0.71) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0132304-A2 Hydroxy substituted peptide compounds E.R. Squibb & Sons, Inc. (US) 1985-01-30 — — EP disclosed
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