SCHEMBL28668183

SCHEMBL28668183

C[C@@H](OC(N)=O)C(=O)N1CCCC(OC(F)F)C1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.36
DPP7 Q9UHL4 8/20 0.36
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
PDE4B Q07343 1/20 0.34
HDAC4 P56524 3/20 0.32
FAP Q12884 2/20 0.31
PREP P48147 1/20 0.31

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
SCHEMBL28668186 1.00 DPP4 (0.36) DPP4DPP7DPP8DPP9PDE4B
SCHEMBL18205130 0.76 HDAC4 (0.35) DPP4DPP7PDE4BHDAC4FAP
SCHEMBL28664389 0.75 HDAC4 (0.42) HDAC4
SCHEMBL28664388 0.75 HDAC4 (0.42) HDAC4
SCHEMBL19874797 0.75 TAAR1 (0.33) DPP4DPP7HDAC4
SCHEMBL28614556 0.75 L3MBTL1 (0.43) DPP4DPP7
SCHEMBL28614554 0.75 L3MBTL1 (0.43) DPP4DPP7
SCHEMBL18013067 0.74 HDAC4 (0.31) DPP4DPP7HDAC4
SCHEMBL19888514 0.73 HDAC4 (0.34) DPP4DPP7HDAC4
SCHEMBL28192982 0.73 MEN1 (0.40)

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-107735088-B Histone deacetylase inhibitors, compositions and methods of use thereof CHDI基金会股份有限公司 2021-11-02 CN disclosed