SCHEMBL28455203

SCHEMBL28455203

COc1cccc(OC)c1-c1cc(C(=O)N[C@H](CC(=O)OC(=O)C(F)(F)F)CC(C)C)nn1CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 20/20 0.58

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
SCHEMBL17326416 0.90 APLNR (0.63) APLNR
SCHEMBL21468145 0.90 APLNR (0.63) APLNR
Trifluoroacetic Acid SCHEMBL28455205 0.88 APLNR (0.69) APLNR
SCHEMBL17924645 0.87 APLNR (0.61) APLNR
SCHEMBL17326712 0.87 APLNR (0.61) APLNR
SCHEMBL17317704 0.86 APLNR (0.73) APLNR
SCHEMBL17929216 0.86 APLNR (0.73) APLNR
SCHEMBL17326410 0.86 APLNR (0.73) APLNR
SCHEMBL21229219 0.85 APLNR (0.76) APLNR
SCHEMBL17326223 0.85 APLNR (0.76) 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
CN-106459004-B Apelin receptor (APJ) agonists and uses thereof 研究三角协会 2020-09-15 — — CN disclosed
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