SCHEMBL11120692

SCHEMBL11120692

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

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 15/20 0.82
▸ ACE2 Q9BYF1 7/20 0.82
▸ LTA4H P09960 1/20 0.56

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
SCHEMBL11120609 1.00 ACE (0.82) ACEACE2LTA4H
SCHEMBL11121217 0.90 ACE (0.79) ACEACE2LTA4H
SCHEMBL11122708 0.90 ACE (1.00) ACEACE2
SCHEMBL11122713 0.90 ACE (1.00) ACEACE2
SCHEMBL6442128 0.88 ACE (0.74) ACEACE2LTA4H
SCHEMBL6442125 0.88 ACE (0.74) ACEACE2LTA4H
SCHEMBL11122051 0.88 ACE (0.65) ACEACE2
SCHEMBL11122057 0.88 ACE (0.65) ACEACE2
SCHEMBL11124339 0.88 ACE (0.81) ACEACE2
SCHEMBL11279585 0.88 ACE (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045161-B1 AMIDES OF 4-OXO-5-AMIDOHEXANOIC ACID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-14 — — EP disclosed
EP-0045161-A1 Amides of 4-oxo-5-amidohexanoic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-02-03 — — EP disclosed
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