SCHEMBL11280664

SCHEMBL11280664

O=C(N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 20/20 0.77
▸ ACE2 Q9BYF1 5/20 0.77

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
SCHEMBL11123161 0.87 ACE (1.00) ACEACE2
SCHEMBL1792093 0.87 ACE (1.00) ACEACE2
SCHEMBL1792089 0.87 ACE (1.00) ACEACE2
SCHEMBL11272136 0.85 ACE (0.87) ACEACE2
SCHEMBL10976266 0.84 ACE (0.78) ACEACE2
SCHEMBL11283912 0.84 ACE (0.78) ACEACE2
SCHEMBL11123651 0.84 ACE (1.00) ACEACE2
SCHEMBL11123648 0.84 ACE (1.00) ACEACE2
SCHEMBL11123656 0.84 ACE (1.00) ACEACE2
SCHEMBL10975992 0.84 ACE (1.00) 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-0053017-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-02 — — EP disclosed
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