SCHEMBL27486104

SCHEMBL27486104

BC(=O)[C@@H]1CCCN1C(=O)C(Cc1ccccc1)NC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.62
ACE2 Q9BYF1 10/20 0.60
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL27486103 1.00 ACE (0.62) ACEACE2LTA4HALDH1A1SMN1; SMN2
SCHEMBL6442128 0.91 ACE (0.74) ACEACE2LTA4H
SCHEMBL6442125 0.91 ACE (0.74) ACEACE2LTA4H
SCHEMBL18085979 0.88 ACE (0.64) ACEACE2
SCHEMBL6436088 0.85 ACE (0.67) ACEACE2LTA4H
SCHEMBL6439093 0.85 ACE (0.62) ACEACE2
SCHEMBL8257221 0.83 ACE (0.56) ACEACE2
SCHEMBL21347513 0.83 ACE (0.56) ACEACE2
SCHEMBL19685446 0.83 ACE (0.56) ACEACE2
SCHEMBL7855038 0.82 KDM4E (0.58) ACEACE2ALDH1A1

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-1151166-A 3-Amino-2-oxo-1-piperidineacetic acid derivatives as enzyme inhibitors CORVAS INT INC (US) 1997-06-04 CN disclosed