SCHEMBL28659028

SCHEMBL28659028

CC(OC(N)=O)C(=O)N1CC2CCCC2C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.37
▸ DPP4 P27487 14/20 0.35
▸ DPP7 Q9UHL4 5/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ CHRNB3 Q05901 1/20 0.33
▸ CHRNA6 Q15825 1/20 0.33
▸ DPP8 Q6V1X1 3/20 0.32
▸ DPP9 Q86TI2 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
SCHEMBL28659026 1.00 HSD11B1 (0.37) HSD11B1DPP4DPP7ALDH1A1CHRNB2
SCHEMBL20343540 0.80 HSD11B1 (0.42) HSD11B1DPP4DPP7CHRNB2CHRNA3
SCHEMBL28614554 0.77 L3MBTL1 (0.43) DPP4DPP7ALDH1A1
SCHEMBL28614556 0.77 L3MBTL1 (0.43) DPP4DPP7ALDH1A1
SCHEMBL18348011 0.76 CHRNB2 (0.53) HSD11B1DPP4DPP7ALDH1A1CHRNB2
SCHEMBL20343599 0.74 HSD11B1 (0.44) HSD11B1DPP4DPP7ALDH1A1CHRNB2
SCHEMBL20343439 0.74 HSD11B1 (0.44) HSD11B1DPP4DPP7ALDH1A1CHRNB2
SCHEMBL28670698 0.74 ALDH1A1 (0.42) HSD11B1ALDH1A1
SCHEMBL28670700 0.74 ALDH1A1 (0.42) HSD11B1ALDH1A1
SCHEMBL28811201 0.73 ALDH1A1 (0.41) DPP4DPP7ALDH1A1DPP8DPP9

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
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