SCHEMBL28928596

SCHEMBL28928596

C[C@H](CN1Cc2ccccc2C1)OC(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.44
▸ CARM1 Q86X55 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ POLB P06746 3/20 0.43
▸ PRMT5 O14744 3/20 0.41
▸ WDR77 Q9BQA1 3/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39

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 0.91 DRD2 (0.53) DRD2CARM1POLBPRMT5WDR77
SCHEMBL28650984 0.81 NPSR1 (0.44) NPSR1POLBSMN1; SMN2NPC1
SCHEMBL28654076 0.79 HDAC4 (0.42) DRD2PRMT5WDR77
SCHEMBL28656456 0.79 POLB (0.48) CARM1NPSR1POLBUSP2SMN1; SMN2
SCHEMBL28656457 0.79 POLB (0.48) CARM1NPSR1POLBUSP2SMN1; SMN2
SCHEMBL28668562 0.77 DPP8 (0.48) DPP8DPP9
SCHEMBL28669034 0.76 NPSR1 (0.51) NPSR1POLBUSP2SMN1; SMN2
SCHEMBL29758947 0.73 PRMT5 (0.51) DRD2CARM1POLBPRMT5WDR77
SCHEMBL28928597 0.73 PRMT5 (0.51) DRD2CARM1POLBPRMT5WDR77
SCHEMBL18212444 0.73 PRMT5 (0.51) DRD2CARM1POLBPRMT5WDR77

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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