SCHEMBL28676326

SCHEMBL28676326

C[C@@H](OC(=O)NC(C)(C)C)C(=O)N1CCc2cnccc2C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 15/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ HCRTR2 O43614 2/20 0.41

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
SCHEMBL28650972 0.85 TDP1 (0.57) TDP1HPGD
SCHEMBL28658606 0.83 TDP1 (0.47) NAMPTTDP1HPGD
SCHEMBL28658604 0.83 TDP1 (0.47) NAMPTTDP1HPGD
SCHEMBL28676327 0.80 NAMPT (0.44) NAMPTHCRTR2
SCHEMBL18215073 0.80 NAMPT (0.44) NAMPTHCRTR2
SCHEMBL29758943 0.80 NAMPT (0.44) NAMPTHCRTR2
SCHEMBL25518873 0.80 NAMPT (0.56) NAMPT
SCHEMBL28654076 0.80 HDAC4 (0.42) NAMPT
SCHEMBL28668562 0.79 DPP8 (0.48) NAMPTTDP1HPGD
SCHEMBL16219054 0.78 NAMPT (0.57) NAMPTHPGD

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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