SCHEMBL8358951

SCHEMBL8358951

CN[C@H]1CCCCN([C@@H](C)C(=O)O)C1=O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.49
XIAP P98170 2/20 0.46
F10 P00742 6/20 0.34
F2 P00734 1/20 0.34

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
SCHEMBL15255695 0.88 XIAP (0.43) ACEXIAPF10
SCHEMBL15255697 0.83 ACE (0.44) ACEXIAPF10F2
SCHEMBL13050539 0.82 XIAP (0.37) ACEXIAP
SCHEMBL12895000 0.80 XIAP (0.36) XIAP
SCHEMBL10792822 0.79 XIAP (0.42) ACEXIAPF10F2
SCHEMBL10792831 0.79 XIAP (0.42) ACEXIAPF10F2
SCHEMBL205500 0.78 ACE (0.49) ACEXIAPF10F2
SCHEMBL2707170 0.78 ACE (0.49) ACEXIAPF10F2
SCHEMBL10793023 0.78 ACE (0.51) ACEXIAP
SCHEMBL10793019 0.78 ACE (0.51) ACEXIAP

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
US-6509330-B2 Angiotensin converting enzyme (ACE); neutral endopeptidase (NEP); containing a dipeptide derived from an amino acid, or a conformationally restricted dipeptide mimic BRISTOL-MYERS SQUIBB COMPANY 2003-01-21 US disclosed