SCHEMBL28880392

SCHEMBL28880392

N#C[C@@H]1CC(F)(F)CN1C(=O)CC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAP Q12884 13/20 0.54
PREP P48147 12/20 0.54
DPP9 Q86TI2 3/20 0.46
PITRM1 Q5JRX3 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 2/20 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
SCHEMBL28880394 1.00 FAP (0.54) FAPPREPDPP9PITRM1DPP8
SCHEMBL28880424 0.87 PREP (0.54) FAPPREPDPP9PITRM1DPP8
SCHEMBL28880426 0.87 PREP (0.54) FAPPREPDPP9PITRM1DPP8
SCHEMBL28880404 0.84 PREP (0.52) FAPPREPDPP9PITRM1DPP8
SCHEMBL28880405 0.84 PREP (0.52) FAPPREPDPP9PITRM1DPP8
SCHEMBL29911417 0.83 FAP (0.53) FAPPREPDPP9PITRM1DPP8
SCHEMBL28880390 0.83 FAP (0.53) FAPPREPDPP9PITRM1DPP8
SCHEMBL28880389 0.83 FAP (0.53) FAPPREPDPP9PITRM1DPP8
SCHEMBL28958451 0.83 FAP (0.55) FAPPREPDPP9PITRM1DPP8
SCHEMBL28958456 0.83 FAP (0.55) FAPPREPDPP9PITRM1DPP8

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