SCHEMBL28670702

SCHEMBL28670702

CC(CN1CCc2ccccc2C1)NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.57
PRMT5 O14744 10/20 0.54
WDR77 Q9BQA1 8/20 0.54
POLB P06746 1/20 0.51
HDAC4 P56524 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CARM1 Q86X55 1/20 0.49
CTSK P43235 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 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
SCHEMBL29758953 1.00 DRD2 (0.57) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL18215162 1.00 DRD2 (0.57) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL21020862 0.94 DRD2 (0.52) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL21020832 0.93 CARM1 (0.51) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL27478660 0.93 CARM1 (0.51) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL27478669 0.93 CARM1 (0.51) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL18212444 0.91 PRMT5 (0.51) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL28928597 0.91 PRMT5 (0.51) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL29758947 0.91 PRMT5 (0.51) DRD2PRMT5WDR77POLBHDAC4
SCHEMBL9035931 0.85 DRD2 (0.55) DRD2PRMT5WDR77POLBCARM1

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