SCHEMBL20201054

SCHEMBL20201054

COc1cccc(CN2CCCC2)c1-n1c(-c2ccco2)nnc1N(CCSI)[S+]([O-])CCc1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 19/20 0.43
KCNH2 Q12809 1/20 0.33
SCN9A Q15858 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
SCHEMBL20190016 0.79 APLNR (0.54) APLNR
SCHEMBL21339342 0.77 APLNR (0.54) APLNR
SCHEMBL20201176 0.77 APLNR (0.56) APLNR
SCHEMBL20201030 0.76 APLNR (0.48) APLNR
SCHEMBL21339473 0.74 APLNR (0.54) APLNR
SCHEMBL20190522 0.73 APLNR (0.80) APLNR
SCHEMBL21339043 0.70 APLNR (0.54) APLNR
SCHEMBL20189973 0.68 APLNR (0.57) APLNR
SCHEMBL20190606 0.68 APLNR (0.57) APLNR
SCHEMBL20200535 0.67 APLNR (0.62) APLNR

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
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed