SCHEMBL21748121

SCHEMBL21748121

COc1cnc(C(C)C(C)S(=O)(=O)Nc2nnc(-c3cccnc3)n2-c2c(OC)cccc2OC)nc1

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
SCHEMBL18246561 1.00 APLNR (1.00) APLNR
SCHEMBL30727133 0.94 APLNR (1.00) APLNR
SCHEMBL21748028 0.94 APLNR (1.00) APLNR
SCHEMBL18246071 0.94 APLNR (1.00) APLNR
SCHEMBL18246793 0.94 APLNR (1.00) APLNR
SCHEMBL18490873 0.93 APLNR (1.00) APLNR
SCHEMBL18246051 0.93 APLNR (1.00) APLNR
SCHEMBL18246374 0.93 APLNR (1.00) APLNR
Trifluoroacetic Acid SCHEMBL18246258 0.93 APLNR (0.87) APLNR
SCHEMBL21097434 0.92 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137545-B Triazole agonists of the APJ receptor 美国安进公司 2020-09-22 CN claimed
EP-3300500-B9 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2021-01-13 EP disclosed
CN-108137545-B Triazole agonists of the APJ receptor 美国安进公司 2020-09-22 CN disclosed
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed