SCHEMBL11208609

SCHEMBL11208609

O=C(O)[C@@H]1CC2(CN1C(=O)CCS)C(=O)CCC2=O

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 10/20 0.41

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
SCHEMBL11211825 0.92 ACE (0.34) ACE
SCHEMBL11213081 0.88 ACE (0.32) ACE
SCHEMBL11213089 0.80 ACE (0.43) ACE
SCHEMBL11210064 0.80 ACE (0.34) ACE
SCHEMBL11214429 0.79 ACE (0.38) ACE
SCHEMBL11257080 0.78 ACE (0.37) ACE
SCHEMBL11210160 0.78 ACE (0.37) ACE
SCHEMBL11219671 0.77 LMNA (0.50) ACE
SCHEMBL11210570 0.77 LMNA (0.50) ACE
SCHEMBL11214163 0.77 ACE (0.52) ACE

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-4311697-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-19 US disclosed