SCHEMBL8636064

SCHEMBL8636064

CCCCc1nc(I)c(CO)n1CC1CCC(C(C(=O)O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
CHRM3 P20309 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
APLNR P35414 1/20 0.34

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
SCHEMBL8636323 0.89 AGTR1 (0.40) AGTR1AGTR2CHRM3TLR7APLNR
SCHEMBL8635299 0.88 AGTR1 (0.38) AGTR1AGTR2CHRM3TLR7APLNR
SCHEMBL8634862 0.87 AGTR1 (0.35) AGTR1AGTR2CHRM3TLR7
SCHEMBL8639183 0.81 AGTR2 (0.42) AGTR1AGTR2
SCHEMBL8636030 0.80 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8636053 0.78 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL7839345 0.68 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8636318 0.68 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8633071 0.68 AGTR2 (0.43) AGTR1AGTR2APLNR
SCHEMBL8635295 0.67 AGTR1 (0.46) 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-5776964-A HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-07 US disclosed