SCHEMBL11211954

SCHEMBL11211954

CC(=O)SCC(C(=O)N1CC2(C[C@H]1C(=O)O)C(=O)CCC2=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.35

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
SCHEMBL11210192 0.85 ACE (0.38) ACE
SCHEMBL11213000 0.84 ACE (0.50) ACE
SCHEMBL11214153 0.83 ACE (0.37) ACE
SCHEMBL11448852 0.83 ACE (0.38) ACE
SCHEMBL11218243 0.82 ACE (0.36) ACE
SCHEMBL11214186 0.82 ACE (0.36) ACE
SCHEMBL11209974 0.81 ACE (0.35) ACE
SCHEMBL11217761 0.80 ACE (0.48) ACE
SCHEMBL11212426 0.77 ACE (0.31) ACE
SCHEMBL11268825 0.76 ACE (0.48) 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