SCHEMBL20183086

SCHEMBL20183086

COc1cccc(O)c1-n1c(Cc2ccccc2)nnc1NS(=O)(=O)[C@@H](C)[C@H](C)c1ncc(Cl)cn1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 0.78

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
SCHEMBL21378778 0.94 APLNR (0.87) APLNR
SCHEMBL20183091 0.94 APLNR (0.87) APLNR
SCHEMBL20168699 0.88 APLNR (1.00) APLNR
SCHEMBL20172531 0.88 APLNR (1.00) APLNR
SCHEMBL20168634 0.85 APLNR (1.00) APLNR
SCHEMBL20168635 0.85 APLNR (1.00) APLNR
SCHEMBL21378674 0.85 APLNR (1.00) APLNR
SCHEMBL20183048 0.85 APLNR (1.00) APLNR
SCHEMBL20166483 0.84 APLNR (1.00) APLNR
SCHEMBL20166485 0.84 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-2018093576-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed