SCHEMBL22537372

SCHEMBL22537372

COc1cccc(OC)c1-n1c(N[S+]([O-])CC(O)c2ncc(C)cn2)nnc1-c1nc(C)cs1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 0.63

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
SCHEMBL22537216 0.90 APLNR (0.60) APLNR
SCHEMBL22537187 0.84 APLNR (0.68) APLNR
SCHEMBL20207255 0.83 APLNR (0.64) APLNR
SCHEMBL22537272 0.78 APLNR (0.71) APLNR
SCHEMBL20189318 0.77 APLNR (1.00) APLNR
SCHEMBL20187833 0.77 APLNR (1.00) APLNR
SCHEMBL20187810 0.77 APLNR (1.00) APLNR
SCHEMBL20188904 0.77 APLNR (1.00) APLNR
SCHEMBL20187812 0.77 APLNR (1.00) APLNR
SCHEMBL22537155 0.76 APLNR (0.71) 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
EP-3541805-B1 HETEROARYL-SUBSTITUTED TRIAZOLES AS APJ RECEPTOR AGONISTS AMGEN INC (US) 2020-10-14 EP disclosed