SCHEMBL11291684

SCHEMBL11291684

COC(=O)[C@@H]1CCCN1C(=O)C(C)CC(=O)C(Cc1ccccc1)NC(=O)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 16/20 0.67
▸ ACE2 Q9BYF1 8/20 0.67
▸ KLK5 Q9Y337 1/20 0.46

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
SCHEMBL11291682 1.00 ACE (0.67) ACEACE2KLK5
SCHEMBL10976266 0.92 ACE (0.78) ACEACE2
SCHEMBL11283912 0.92 ACE (0.78) ACEACE2
SCHEMBL11122197 0.89 ACE (0.84) ACEACE2
SCHEMBL11122199 0.89 ACE (0.84) ACEACE2
SCHEMBL11283726 0.85 ACE (0.68) ACEACE2KLK5
SCHEMBL11283744 0.85 ACE (0.68) ACEACE2KLK5
SCHEMBL11121798 0.83 ACE (0.70) ACEACE2KLK5
SCHEMBL11121801 0.83 ACE (0.70) ACEACE2KLK5
SCHEMBL11122705 0.82 ACE (0.59) ACEACE2KLK5

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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