SCHEMBL22760191

SCHEMBL22760191

CC(C)(C)OC(=O)N1CCC(Oc2c(C(=O)O)n(-c3ccccc3)c3cc(Cl)c(Cl)cc23)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.46
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
USP30 Q70CQ3 2/20 0.43
PIK3CD O00329 5/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
S1PR3 Q99500 1/20 0.39
PDE4B Q07343 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 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
SCHEMBL22748436 0.90 MAPK8 (0.46) MAPK8NPBWR1MCHR1GPR119USP30
SCHEMBL22760097 0.85 CHRM4 (0.45) MCHR1MEN1KMT2A
SCHEMBL22747899 0.75 HTR1A (0.40)
SCHEMBL22760385 0.75 MAPK8 (0.49) MAPK8GPR119MEN1KMT2ATP53
SCHEMBL22747874 0.75 MAPT (0.43) MEN1KMT2ATP53MAPT
SCHEMBL1769219 0.72 USP30 (0.71) GPR119USP30PIK3CDPRMT5WDR77
SCHEMBL21409063 0.72 USP30 (0.71) GPR119USP30PIK3CDPRMT5WDR77
SCHEMBL5153452 0.72 USP30 (0.71) GPR119USP30PIK3CDPRMT5WDR77
SCHEMBL21483739 0.70 PDE4B (0.48) NPBWR1MCHR1GPR119USP30PIK3CD
SCHEMBL5835368 0.70 PDE4B (0.48) NPBWR1MCHR1GPR119USP30PIK3CD

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-2020244462-A1 INDOLE DERIVATIVES AND PHARMACEUTICAL USE THEREOF 中国药科大学 2020-12-10 WO disclosed