SCHEMBL20201110

SCHEMBL20201110

COc1cccc(OC)c1-n1c(-c2ccco2)nnc1N(CCSI)SC(C)Cc1ncc(F)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 0.49

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
SCHEMBL20201129 0.83 APLNR (0.42) APLNR
SCHEMBL20200830 0.82 APLNR (0.56) APLNR
SCHEMBL20190902 0.80 APLNR (0.58) APLNR
SCHEMBL20201104 0.80 APLNR (0.58) APLNR
SCHEMBL20190901 0.80 APLNR (0.58) APLNR
SCHEMBL20200769 0.76 APLNR (0.41) APLNR
SCHEMBL20201117 0.76 APLNR (0.42) APLNR
SCHEMBL20201124 0.73 APLNR (0.40) APLNR
SCHEMBL20190725 0.72 APLNR (0.69) APLNR
SCHEMBL21328292 0.72 APLNR (0.69) 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