SCHEMBL28673307

SCHEMBL28673307

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 13/20 0.43
▸ WDR77 Q9BQA1 12/20 0.43
▸ NAMPT P43490 5/20 0.42
▸ HDAC4 P56524 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL28673309 1.00 PRMT5 (0.43) PRMT5WDR77NAMPTHDAC4KDM4E
SCHEMBL28654413 0.84 CARM1 (0.51) PRMT5WDR77
SCHEMBL28654411 0.84 CARM1 (0.51) PRMT5WDR77
SCHEMBL28654076 0.83 HDAC4 (0.42) PRMT5WDR77NAMPTHDAC4KDM4E
SCHEMBL18212477 0.79 PRMT5 (0.45) PRMT5WDR77NAMPTHDAC4
SCHEMBL28668552 0.79 PRMT5 (0.45) PRMT5WDR77NAMPTHDAC4
SCHEMBL18212476 0.79 NAMPT (0.49) PRMT5WDR77NAMPTHDAC4
Hydrochloric Acid SCHEMBL18205144 0.78 PRMT5 (0.44) PRMT5WDR77NAMPTHDAC4
Hydrochloric Acid SCHEMBL18205147 0.78 PRMT5 (0.44) PRMT5WDR77NAMPTHDAC4
SCHEMBL28658606 0.77 TDP1 (0.47) NAMPT

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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