SCHEMBL20200731

SCHEMBL20200731

COc1cccc(OC)c1-n1c(NSCCN2C(=O)N(C)CC[C@@H]2C)nnc1-c1ccco1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 0.74

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
SCHEMBL20200755 0.90 APLNR (0.75) APLNR
SCHEMBL20200785 0.88 APLNR (0.75) APLNR
SCHEMBL20201043 0.88 APLNR (0.75) APLNR
SCHEMBL22810416 0.87 APLNR (0.59) APLNR
SCHEMBL20190164 0.85 APLNR (1.00) APLNR
SCHEMBL20190493 0.85 APLNR (1.00) APLNR
SCHEMBL21767028 0.83 APLNR (0.75) APLNR
SCHEMBL20200817 0.81 APLNR (0.76) APLNR
SCHEMBL20200380 0.79 APLNR (0.57) APLNR
SCHEMBL22810430 0.78 APLNR (0.53) 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