SCHEMBL20200321

SCHEMBL20200321

COc1ccc(CCSNc2nnc(-c3ccco3)n2-c2c(OC)cccc2OC)cn1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 0.53

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
SCHEMBL20200869 0.87 APLNR (0.58) APLNR
SCHEMBL22810438 0.86 APLNR (0.69) APLNR
SCHEMBL22810406 0.84 APLNR (0.70) APLNR
SCHEMBL20200875 0.83 APLNR (0.57) APLNR
SCHEMBL20189643 0.83 APLNR (0.77) APLNR
SCHEMBL20200787 0.82 APLNR (0.64) APLNR
SCHEMBL20200863 0.82 APLNR (0.53) APLNR
SCHEMBL22810430 0.82 APLNR (0.53) APLNR
SCHEMBL20200181 0.82 APLNR (0.64) APLNR
SCHEMBL22810390 0.81 APLNR (0.67) 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