SCHEMBL8635299

SCHEMBL8635299

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.38
AGTR2 P50052 3/20 0.38
TLR7 Q9NYK1 4/20 0.35
TLR8 Q9NR97 2/20 0.35
APLNR P35414 1/20 0.34
CHRM3 P20309 1/20 0.34
P2RX3 P56373 1/20 0.33

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
SCHEMBL8636030 0.90 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8636064 0.88 AGTR1 (0.36) AGTR1AGTR2TLR7APLNRCHRM3
SCHEMBL8636323 0.84 AGTR1 (0.40) AGTR1AGTR2TLR7APLNRCHRM3
SCHEMBL8639183 0.81 AGTR2 (0.42) AGTR1AGTR2
SCHEMBL8634862 0.78 AGTR1 (0.35) AGTR1AGTR2TLR7CHRM3
SCHEMBL8635295 0.78 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8636228 0.76 AGTR2 (0.40) AGTR1AGTR2APLNR
SCHEMBL7839994 0.69 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9092277 0.69 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9010371 0.68 AGTR1 (0.49) AGTR1AGTR2CHRM3

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