SCHEMBL28833982

SCHEMBL28833982

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc3ccc(Cl)cc23)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.55
PIK3CD O00329 3/20 0.51
PIK3CA P42336 2/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
USP30 Q70CQ3 4/20 0.46
IDO1 P14902 1/20 0.46
BRD4 O60885 1/20 0.46
ANO1 Q5XXA6 1/20 0.45
NOS1 P29475 1/20 0.44
NOS2 P35228 1/20 0.44
MAPK8 P45983 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL29933511 1.00 CNR1 (0.55) CNR1PIK3CDPIK3CAALDH1A1KDM4E
SCHEMBL23360676 0.94 CNR1 (0.61) CNR1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL29863184 0.94 CNR1 (0.61) CNR1PIK3CAALDH1A1KDM4EMEN1
SCHEMBL29933711 0.89 PIK3CD (0.52) CNR1PIK3CDPIK3CAKMT2AUSP30
SCHEMBL30958645 0.89 PIK3CD (0.52) CNR1PIK3CDPIK3CAKMT2AUSP30
SCHEMBL28834221 0.89 IDO1 (0.57) CNR1PIK3CDPIK3CAUSP30IDO1
SCHEMBL29933707 0.89 IDO1 (0.57) CNR1PIK3CDPIK3CAUSP30IDO1
SCHEMBL28834220 0.89 IDO1 (0.57) CNR1PIK3CDPIK3CAUSP30IDO1
SCHEMBL29933647 0.88 PIK3CD (0.55) CNR1PIK3CDPIK3CAALDH1A1USP30
SCHEMBL28834195 0.88 PIK3CD (0.55) CNR1PIK3CDPIK3CAALDH1A1USP30

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