SCHEMBL9010402

SCHEMBL9010402

CCCCc1nc(Cl)c(O)n1C(CC)c1ccc(C(C(=O)O)C2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
APLNR P35414 7/20 0.38
CHRM3 P20309 1/20 0.38
ALOX5 P09917 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36

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
SCHEMBL9010377 0.93 CHRM3 (0.37) APLNRCHRM3ALOX5HDAC6AGTR1
SCHEMBL8656074 0.92 CHRM3 (0.36) APLNRCHRM3ALOX5HDAC6AGTR1
SCHEMBL9010380 0.91 CHRM3 (0.36) APLNRCHRM3ALOX5HDAC6AGTR1
SCHEMBL9010419 0.83 APLNR (0.38) APLNR
SCHEMBL7839692 0.77 AGTR2 (0.50) AGTR1AGTR2
SCHEMBL9010373 0.77 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7839345 0.76 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9010398 0.76 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL7839994 0.76 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9092277 0.75 AGTR1 (0.56) 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-5521206-A HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed