SCHEMBL31164831

SCHEMBL31164831

O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.54
▸ ACE2 Q9BYF1 8/20 0.53
▸ LTA4H P09960 3/20 0.51

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
SCHEMBL31164828 1.00 ACE (0.54) ACEACE2LTA4H
SCHEMBL29697676 0.97 ACE (0.58) ACEACE2LTA4H
SCHEMBL29613906 0.97 ACE (0.58) ACEACE2LTA4H
SCHEMBL24579222 0.97 ACE (0.58) ACEACE2LTA4H
SCHEMBL29696658 0.97 ACE (0.58) ACEACE2LTA4H
SCHEMBL30165170 0.94 ACE (0.54) ACEACE2LTA4H
SCHEMBL30744273 0.90 PRCP (0.47) ACEACE2LTA4H
SCHEMBL30057736 0.87 PRCP (0.49) ACEACE2LTA4H
SCHEMBL24579348 0.86 ACE (0.52) ACEACE2
SCHEMBL30640786 0.86 ACE (0.52) 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
CN-113121647-B Cyclic peptides and process for their preparation 陈建添 2024-09-17 — — CN disclosed
Send feedback