SCHEMBL8634862

SCHEMBL8634862

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
CHRM3 P20309 1/20 0.34
TLR7 Q9NYK1 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
SCHEMBL8636064 0.87 AGTR1 (0.36) AGTR1AGTR2CHRM3TLR7
SCHEMBL7835851 0.79 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8639183 0.79 AGTR2 (0.42) AGTR1AGTR2
SCHEMBL8636323 0.78 AGTR1 (0.40) AGTR1AGTR2CHRM3TLR7
SCHEMBL8635299 0.78 AGTR1 (0.38) AGTR1AGTR2CHRM3TLR7
SCHEMBL8636030 0.78 AGTR1 (0.48) AGTR1AGTR2
Trifluoroacetic Acid SCHEMBL3909280 0.67 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9010363 0.66
SCHEMBL306 0.66 AGTR1 (0.76) AGTR1AGTR2
SCHEMBL7839345 0.66 AGTR1 (0.57) 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