SCHEMBL9010417

SCHEMBL9010417

CCCCc1nc(Cl)c(C(C)O)n1Cc1ccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.42
AGTR1 P30556 3/20 0.37
MME P08473 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
SCHEMBL8633065 0.90 AGTR2 (0.49) AGTR2AGTR1
SCHEMBL9010408 0.89 AGTR2 (0.55) AGTR2AGTR1
SCHEMBL8636224 0.88 AGTR2 (0.46) AGTR2AGTR1
SCHEMBL9010398 0.83 AGTR1 (0.45) AGTR2AGTR1
SCHEMBL9427433 0.83 AGTR2 (0.41) AGTR2AGTR1MME
SCHEMBL9428192 0.82 AGTR2 (0.39) AGTR2AGTR1MME
SCHEMBL9428196 0.82 AGTR2 (0.39) AGTR2AGTR1MME
SCHEMBL9010419 0.80 APLNR (0.38)
SCHEMBL9010373 0.76 AGTR1 (0.44) AGTR2AGTR1
SCHEMBL8633071 0.75 AGTR2 (0.43) AGTR2AGTR1MME

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-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed