SCHEMBL7340981

SCHEMBL7340981

CC(CS)C(=O)N1C[C@H](OCCc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.56
AGTR2 P50052 1/20 0.55

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
SCHEMBL7348413 1.00 ACE (0.56) ACEAGTR2
SCHEMBL7338501 0.89 ACE (0.58) ACEAGTR2
SCHEMBL7349421 0.89 ACE (0.58) ACEAGTR2
SCHEMBL7338505 0.89 ACE (0.58) ACEAGTR2
SCHEMBL7339371 0.85 ACE (0.53) ACEAGTR2
SCHEMBL7339378 0.85 ACE (0.53) ACEAGTR2
SCHEMBL7343429 0.83 AGTR2 (0.53) ACEAGTR2
SCHEMBL7338695 0.83 ACE (0.49) ACE
SCHEMBL7346345 0.83 ACE (0.49) ACE
SCHEMBL7343432 0.83 AGTR2 (0.53) ACEAGTR2

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-4316906-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed