SCHEMBL28834162

SCHEMBL28834162

Cc1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc2cccnc12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
PIM1 P11309 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
BTK Q06187 1/20 0.45
PARP1 P09874 1/20 0.44
BRD4 O60885 1/20 0.44
MET P08581 1/20 0.44
PIK3CD O00329 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
SCHEMBL29933640 1.00 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL28834163 1.00 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL29862828 1.00 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL23360437 0.94 ALDH1A1 (0.53) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL28834087 0.90 USP30 (0.49) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL28834057 0.90 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL29863292 0.90 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL28834089 0.90 USP30 (0.49) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL28833988 0.90 USP30 (0.48) USP30ALDH1A1NPC1MAPTMAPK1
SCHEMBL28834138 0.90 USP30 (0.49) USP30ALDH1A1NPC1MAPTMAPK1

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
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed