SCHEMBL28880404

SCHEMBL28880404

N#C[C@@H]1CC(F)(F)CN1C(=O)CC(=O)Nc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 17/20 0.52
FAP Q12884 14/20 0.52
DPP4 P27487 3/20 0.47
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
PITRM1 Q5JRX3 1/20 0.46
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL28880405 1.00 PREP (0.52) PREPFAPDPP4DPP8DPP9
SCHEMBL28880452 0.90 PREP (0.52) PREPFAPDPP4DPP8DPP9
SCHEMBL28958451 0.90 FAP (0.55) PREPFAPDPP4DPP8DPP9
SCHEMBL28880453 0.90 PREP (0.52) PREPFAPDPP4DPP8DPP9
SCHEMBL28958456 0.90 FAP (0.55) PREPFAPDPP4DPP8DPP9
SCHEMBL28880424 0.89 PREP (0.54) PREPFAPDPP4DPP8DPP9
SCHEMBL28880426 0.89 PREP (0.54) PREPFAPDPP4DPP8DPP9
SCHEMBL28880392 0.84 FAP (0.54) PREPFAPDPP4DPP8DPP9
SCHEMBL28880394 0.84 FAP (0.54) PREPFAPDPP4DPP8DPP9
SCHEMBL28880390 0.81 FAP (0.53) PREPFAPDPP4DPP8DPP9

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