SCHEMBL8976453

SCHEMBL8976453

CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc(C2CCCCC2C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 5/20 0.50
AGTR1 P30556 3/20 0.43

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
SCHEMBL8976447 1.00 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL8976378 0.89 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL8976387 0.89 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL8130806 0.88 AGTR2 (0.48) AGTR2AGTR1
SCHEMBL8977019 0.84 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL8977027 0.84 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL8977025 0.84 AGTR2 (0.50) AGTR2AGTR1
SCHEMBL8633065 0.82 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL8131016 0.77 AGTR2 (0.44) AGTR2AGTR1
SCHEMBL8976799 0.73 AGTR1 (0.59) AGTR2AGTR1

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-5508299-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, ARTERIAL HYPOTENSIVE AGENT; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed