SCHEMBL7347155

SCHEMBL7347155

CCC(CS)C(=O)N1CC(OCc2ccccc2)C[C@H]1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 9/20 0.53
ACE P12821 3/20 0.48

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
SCHEMBL7347159 1.00 AGTR2 (0.53) AGTR2ACE
SCHEMBL7338505 0.87 ACE (0.58) AGTR2ACE
SCHEMBL7349421 0.87 ACE (0.58) AGTR2ACE
SCHEMBL7338501 0.87 ACE (0.58) AGTR2ACE
SCHEMBL11205534 0.82 AGTR2 (0.57) AGTR2ACE
SCHEMBL11205530 0.82 AGTR2 (0.57) AGTR2ACE
SCHEMBL11205539 0.82 AGTR2 (0.57) AGTR2ACE
Hydrochloric Acid SCHEMBL7313973 0.81 AGTR2 (0.56) AGTR2ACE
Hydrochloric Acid SCHEMBL11199338 0.81 AGTR2 (0.56) AGTR2ACE
Hydrochloric Acid SCHEMBL11199335 0.81 AGTR2 (0.56) AGTR2ACE

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