SCHEMBL10976266

SCHEMBL10976266

CC(CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 18/20 0.78
▸ ACE2 Q9BYF1 11/20 0.78

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
SCHEMBL11283912 1.00 ACE (0.78) ACEACE2
SCHEMBL11291682 0.92 ACE (0.67) ACEACE2
SCHEMBL11291684 0.92 ACE (0.67) ACEACE2
SCHEMBL11122708 0.88 ACE (1.00) ACEACE2
SCHEMBL11122713 0.88 ACE (1.00) ACEACE2
SCHEMBL11120609 0.86 ACE (0.82) ACEACE2
SCHEMBL11120692 0.86 ACE (0.82) ACEACE2
SCHEMBL11286191 0.85 ACE (0.80) ACEACE2
SCHEMBL11286198 0.85 ACE (0.80) ACEACE2
SCHEMBL11280664 0.84 ACE (0.77) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053017-B1 AMIDE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-02-20 — — EP claimed
EP-0053017-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-02 — — EP claimed
EP-0053017-A1 Amide derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-02 — — EP disclosed
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