SCHEMBL28958456

SCHEMBL28958456

N#CC1CC(F)(F)CN1C(=O)CC(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAP Q12884 18/20 0.55
PREP P48147 17/20 0.55
DPP4 P27487 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
PITRM1 Q5JRX3 1/20 0.45
DPP9 Q86TI2 1/20 0.45

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
SCHEMBL28958451 1.00 FAP (0.55) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880405 0.90 PREP (0.52) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880404 0.90 PREP (0.52) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880452 0.89 PREP (0.52) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880453 0.89 PREP (0.52) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880424 0.88 PREP (0.54) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880426 0.88 PREP (0.54) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880389 0.87 FAP (0.53) FAPPREPDPP4DPP8PITRM1
SCHEMBL29911417 0.87 FAP (0.53) FAPPREPDPP4DPP8PITRM1
SCHEMBL28880390 0.87 FAP (0.53) FAPPREPDPP4DPP8PITRM1

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-115160204-B Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2024-04-09 CN claimed
CN-115160204-A Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2022-10-11 CN claimed
CN-115160204-B Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2024-04-09 CN disclosed
CN-115160204-A Fibroblast activation protein inhibitor and preparation method and application thereof 山东大学 2022-10-11 CN disclosed