SCHEMBL28654076

SCHEMBL28654076

C[C@H](CN1CCc2cnccc2C1)OC(=O)NC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.42
▸ NAMPT P43490 7/20 0.41
▸ PRMT5 O14744 8/20 0.40
▸ WDR77 Q9BQA1 8/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37

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
SCHEMBL28670701 0.85 DRD2 (0.53) PRMT5WDR77DRD2
SCHEMBL28673307 0.83 PRMT5 (0.43) HDAC4NAMPTPRMT5WDR77KDM4E
SCHEMBL28673309 0.83 PRMT5 (0.43) HDAC4NAMPTPRMT5WDR77KDM4E
SCHEMBL28676326 0.80 NAMPT (0.44) NAMPT
SCHEMBL28928596 0.79 DRD2 (0.44) PRMT5WDR77DRD2
SCHEMBL28654077 0.79 HDAC4 (0.50) HDAC4NAMPTPRMT5WDR77DRD2
SCHEMBL29758937 0.79 HDAC4 (0.50) HDAC4NAMPTPRMT5WDR77DRD2
SCHEMBL18215074 0.79 HDAC4 (0.50) HDAC4NAMPTPRMT5WDR77DRD2
SCHEMBL18205172 0.75 HDAC4 (0.52) HDAC4NAMPTPRMT5WDR77KDM4E
SCHEMBL18212476 0.75 NAMPT (0.49) HDAC4NAMPTPRMT5WDR77

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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