SCHEMBL20201129

SCHEMBL20201129

COc1cccc(OC)c1-n1c(-c2ccco2)nnc1N(CCSI)SC(C)CN

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 0.42

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
SCHEMBL20200837 0.88 APLNR (0.43) APLNR
SCHEMBL20200769 0.88 APLNR (0.41) APLNR
SCHEMBL20201117 0.83 APLNR (0.42) APLNR
SCHEMBL20201110 0.83 APLNR (0.49) APLNR
SCHEMBL21339409 0.82 APLNR (0.47) APLNR
SCHEMBL21339359 0.80 APLNR (0.46) APLNR
SCHEMBL20201052 0.79 APLNR (0.44) APLNR
SCHEMBL20200894 0.79 ALDH1A1 (0.49) APLNR
SCHEMBL20201124 0.78 APLNR (0.40) APLNR
SCHEMBL21339423 0.76 APLNR (0.45) 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