SCHEMBL29863261

SCHEMBL29863261

CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(F)cc3ncccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.47
PIK3CD O00329 1/20 0.47
CNR1 P21554 2/20 0.45
IDO1 P14902 1/20 0.45
BRD4 O60885 1/20 0.45
BTK Q06187 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PIK3CA P42336 1/20 0.43
NPC1 O15118 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
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 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
SCHEMBL28833994 1.00 USP30 (0.47) USP30PIK3CDCNR1IDO1BRD4
SCHEMBL28834141 1.00 USP30 (0.47) USP30PIK3CDCNR1IDO1BRD4
SCHEMBL28833993 1.00 USP30 (0.47) USP30PIK3CDCNR1IDO1BRD4
SCHEMBL29862687 1.00 USP30 (0.47) USP30PIK3CDCNR1IDO1BRD4
SCHEMBL28833973 0.89 TACR1 (0.48) USP30PIK3CDCNR1BRD4BTK
SCHEMBL28833974 0.89 TACR1 (0.48) USP30PIK3CDCNR1BRD4BTK
SCHEMBL29862929 0.89 TACR1 (0.48) USP30PIK3CDCNR1BRD4BTK
SCHEMBL28833985 0.89 TACR1 (0.48) USP30PIK3CDCNR1BRD4BTK
SCHEMBL29862440 0.89 TACR1 (0.48) USP30PIK3CDCNR1BRD4BTK
SCHEMBL28833963 0.88 PIK3CD (0.50) USP30PIK3CDCNR1BRD4BTK

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