SCHEMBL29863307

SCHEMBL29863307

CC(C)(C)OC(=O)N1CCC(Nc2ccnc3c(F)cccc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.51
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
JAK1 P23458 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CNR1 P21554 2/20 0.45
PARP1 P09874 1/20 0.44
USP30 Q70CQ3 1/20 0.44
IDH1 O75874 1/20 0.44
IDH2 P48735 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
SCHEMBL23360460 1.00 GPR119 (0.51) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL28834065 0.94 USP30 (0.49) GPR119PIM1PIM2CNR1PARP1
SCHEMBL28834064 0.94 USP30 (0.49) GPR119PIM1PIM2CNR1PARP1
SCHEMBL29933464 0.94 USP30 (0.49) GPR119PIM1PIM2CNR1PARP1
SCHEMBL23359875 0.92 GPR119 (0.51) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL23360477 0.89 ALDH1A1 (0.47) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL29862739 0.89 ALDH1A1 (0.47) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL23360170 0.89 ALDH1A1 (0.49) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL29862457 0.89 ALDH1A1 (0.49) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL23360517 0.88 ALDH1A1 (0.50) GPR119ALDH1A1NPC1MAPTMAPK1

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