SCHEMBL21748141

SCHEMBL21748141

COc1ncnc(OC)c1-n1c(NS(=O)(=O)C(C)C(OC(C)C)c2ncc(C)cn2)nnc1-c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
APLNR P35414 20/20 1.00

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
SCHEMBL18246261 1.00 APLNR (1.00) APLNR
SCHEMBL18247008 0.93 APLNR (1.00) APLNR
SCHEMBL30727158 0.93 APLNR (1.00) APLNR
SCHEMBL30134661 0.93 APLNR (1.00) APLNR
SCHEMBL18247145 0.90 APLNR (1.00) APLNR
SCHEMBL28455554 0.89 APLNR (1.00) APLNR
SCHEMBL18246004 0.89 APLNR (1.00) APLNR
SCHEMBL20167431 0.89 APLNR (1.00) APLNR
SCHEMBL20167435 0.89 APLNR (1.00) APLNR
SCHEMBL18475638 0.89 APLNR (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed