SCHEMBL22855681

SCHEMBL22855681

CC(=O)N1CCC(Nc2ccc3c(c2)C(=O)NCC32CCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 10/20 0.44
▸ WDR77 Q9BQA1 10/20 0.44
▸ MAPT P10636 1/20 0.43
▸ PARP14 Q460N5 2/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ JAK1 P23458 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL22855472 0.96 PRMT5 (0.47) PRMT5WDR77MAPTPARP14CYP11B1
SCHEMBL22855214 0.87 GFER (0.38) PRMT5WDR77JAK1ROCK2CYP3A4
SCHEMBL28502959 0.86 PRMT5 (0.38) PRMT5WDR77MAPTCRBNROCK2
SCHEMBL22855639 0.86 ALDH1A1 (0.46) MAPTHTTROCK2
SCHEMBL22855632 0.82 ALDH1A1 (0.53) MAPTPIM1PIM2JAK1CRBN
SCHEMBL22855475 0.82 ALDH1A1 (0.45) MAPTROCK2
SCHEMBL22855213 0.81 CDC7 (0.33) PRMT5WDR77PIM1PIM2KCNH2
SCHEMBL23240775 0.78 PRMT5 (0.53) PRMT5WDR77MAPTJAK1KCNH2
SCHEMBL28905226 0.77 MAPT (0.43) PRMT5WDR77MAPTPARP14CYP11B1
SCHEMBL23212394 0.76 MAPT (0.46) PRMT5WDR77MAPTPARP14CYP11B1

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-2020259478-A1 TRICYCLIC COMPOUND AS PRMT5 INHIBITOR AND APPLICATION THEREOF 南京圣和药物研发有限公司 2020-12-30 — — WO disclosed
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