SCHEMBL9010419

SCHEMBL9010419

CCCCc1nc(Cl)c(O)n1C(CC)c1ccc(C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C2CCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 16/20 0.38
C3AR1 Q16581 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
PPARA Q07869 1/20 0.35

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
SCHEMBL9010402 0.83 APLNR (0.38) APLNR
SCHEMBL9010408 0.81 AGTR2 (0.55)
SCHEMBL8633065 0.81 AGTR2 (0.49)
SCHEMBL8636224 0.80 AGTR2 (0.46)
SCHEMBL9010417 0.80 AGTR2 (0.42)
SCHEMBL9010377 0.77 CHRM3 (0.37) APLNR
SCHEMBL9427433 0.75 AGTR2 (0.41)
SCHEMBL8656074 0.75 CHRM3 (0.36) APLNR
SCHEMBL9010380 0.75 CHRM3 (0.36) APLNR
SCHEMBL9428196 0.74 AGTR2 (0.39)

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