SCHEMBL8905550

SCHEMBL8905550

CCCCc1nc2ccc(N(CCc3ccccc3)S(C)(=O)=O)cc2n1-c1ccc(-c2ccccc2)c(C(=O)O)c1C

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.37
AGTR2 P50052 2/20 0.37

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
SCHEMBL8905756 0.87 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8905536 0.86 ALOX5 (0.44) AGTR1AGTR2
SCHEMBL8907331 0.85 ALOX5 (0.40) AGTR1
SCHEMBL8905557 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8907073 0.84 PTPN22 (0.43)
SCHEMBL8905567 0.83 KEAP1 (0.42)
SCHEMBL8906787 0.82 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL8906990 0.82 ALOX5 (0.42)
SCHEMBL8906118 0.80 PPARG (0.37) AGTR1AGTR2
SCHEMBL8906713 0.78 AGTR1 (0.45) AGTR1AGTR2

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed