SCHEMBL28834016

SCHEMBL28834016

CC(C)(C)OC(=O)N1CCC(Nc2cccc3ncc(Cl)cc23)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.52
PIK3CD O00329 3/20 0.51
BRD4 O60885 1/20 0.49
USP30 Q70CQ3 4/20 0.48
PIK3CA P42336 2/20 0.47
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
BTK Q06187 1/20 0.44
PARP1 P09874 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
STS P08842 1/20 0.43

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
SCHEMBL28834015 1.00 CNR1 (0.52) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL28834105 1.00 CNR1 (0.52) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL29862902 1.00 CNR1 (0.52) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL29862780 1.00 CNR1 (0.52) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL23360355 0.94 CNR1 (0.58) CNR1PIK3CDBRD4PIK3CANPC1
SCHEMBL28834295 0.90 PIK3CD (0.51) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL28834294 0.90 PIK3CD (0.51) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL29862603 0.90 PIK3CD (0.51) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL29862695 0.89 PIK3CD (0.51) CNR1PIK3CDBRD4USP30PIK3CA
SCHEMBL29862916 0.89 PIK3CD (0.51) CNR1PIK3CDBRD4USP30PIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed