SCHEMBL28459653

SCHEMBL28459653

COC(c1ncc(C)cn1)C(C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(C)cccc1C

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
SCHEMBL18246264 1.00 APLNR (1.00) APLNR
SCHEMBL18522943 0.94 APLNR (0.92) APLNR
Trifluoroacetic Acid SCHEMBL21748094 0.93 APLNR (0.86) APLNR
Trifluoroacetic Acid SCHEMBL21097414 0.93 APLNR (0.86) APLNR
SCHEMBL18247276 0.92 APLNR (1.00) APLNR
SCHEMBL18245716 0.91 APLNR (1.00) APLNR
SCHEMBL21748018 0.91 APLNR (1.00) APLNR
SCHEMBL18246776 0.91 APLNR (1.00) APLNR
SCHEMBL18246207 0.91 APLNR (1.00) APLNR
SCHEMBL18246471 0.91 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 2 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
CN-108137545-B Triazole agonists of the APJ receptor 美国安进公司 2020-09-22 CN disclosed