SCHEMBL20200878

SCHEMBL20200878

COc1cccc(OC)c1-n1c(NS(=O)(=O)CCc2ccc(I)cc2C#N)nnc1-c1ccc(C(C)(C)C)o1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 0.76

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
SCHEMBL20190987 0.92 APLNR (0.89) APLNR
SCHEMBL20190094 0.86 APLNR (1.00) APLNR
SCHEMBL20190910 0.83 APLNR (1.00) APLNR
SCHEMBL20189570 0.79 APLNR (0.73) APLNR
SCHEMBL20189902 0.78 APLNR (0.82) APLNR
SCHEMBL20200879 0.78 APLNR (0.56) APLNR
SCHEMBL22810455 0.77 APLNR (0.65) APLNR
SCHEMBL20191134 0.77 APLNR (0.73) APLNR
SCHEMBL20167163 0.77 APLNR (1.00) APLNR
SCHEMBL18246009 0.74 APLNR (1.00) 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