SCHEMBL23212394

SCHEMBL23212394

CC(=O)N1CCC(Nc2ccc3c(c2)CNCC32CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ PRMT5 O14744 10/20 0.42
▸ WDR77 Q9BQA1 8/20 0.42
▸ ITK Q08881 1/20 0.40
▸ PARP14 Q460N5 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ ROCK2 O75116 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL29548144 0.89 MAPT (0.44) MAPTPRMT5WDR77ITKPARP14
SCHEMBL30498737 0.84 PDK2 (0.39) CRBNROCK2CYP3A4EPHX2
SCHEMBL29020381 0.84 PDK2 (0.39) CRBNROCK2CYP3A4EPHX2
SCHEMBL22855472 0.80 PRMT5 (0.47) MAPTPRMT5WDR77ITKPARP14
SCHEMBL28502079 0.77 MAPT (0.45) MAPTPRMT5WDR77ITKPARP14
SCHEMBL22855681 0.76 PRMT5 (0.44) MAPTPRMT5WDR77ITKPARP14
SCHEMBL28905226 0.74 MAPT (0.43) MAPTPRMT5WDR77ITKPARP14
SCHEMBL28502959 0.70 PRMT5 (0.38) MAPTPRMT5WDR77CRBNROCK2
SCHEMBL10269535 0.69 ALDH1A1 (0.63) MAPTCRBN
SCHEMBL10269075 0.68 POLB (0.55) ITKCRBN

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
WO-2021068953-A1 SUBSTITUTED TRICYCLIC COMPOUND AS PRMT5 INHIBITOR AND USE THEREOF 南京圣和药业股份有限公司 2021-04-15 — — WO disclosed
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