SCHEMBL28670701

SCHEMBL28670701

C[C@H](CN1CCc2ccccc2C1)OC(=O)NC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.53
▸ PRMT5 O14744 11/20 0.50
▸ WDR77 Q9BQA1 9/20 0.50
▸ CARM1 Q86X55 1/20 0.49
▸ POLB P06746 1/20 0.48

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
SCHEMBL28928596 0.91 DRD2 (0.44) DRD2PRMT5WDR77CARM1POLB
SCHEMBL28654076 0.85 HDAC4 (0.42) DRD2PRMT5WDR77
SCHEMBL28654413 0.81 CARM1 (0.51) PRMT5WDR77CARM1POLB
SCHEMBL28654411 0.81 CARM1 (0.51) PRMT5WDR77CARM1POLB
SCHEMBL28650972 0.77 TDP1 (0.57) —
SCHEMBL18215162 0.76 DRD2 (0.57) DRD2PRMT5WDR77CARM1POLB
SCHEMBL29758953 0.76 DRD2 (0.57) DRD2PRMT5WDR77CARM1POLB
SCHEMBL28670702 0.76 DRD2 (0.57) DRD2PRMT5WDR77CARM1POLB
SCHEMBL28650984 0.76 NPSR1 (0.44) POLB
SCHEMBL28669034 0.74 NPSR1 (0.51) POLB

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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