SCHEMBL6820562

SCHEMBL6820562

CC(C)(C)OC(=O)N1CCC(NCC(O)c2ccnc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
KDM4D Q6B0I6 1/20 0.46
GPR119 Q8TDV5 5/20 0.45
USP30 Q70CQ3 3/20 0.44
ALDH1A1 P00352 2/20 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
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ACHE P22303 1/20 0.41
CCR8 P51685 1/20 0.41
FAP Q12884 1/20 0.41
STS P08842 1/20 0.41

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
SCHEMBL6820330 0.87 SLC2A1 (0.52) IDO1ALDH1A1STS
SCHEMBL31191746 0.87 SLC2A1 (0.52) IDO1ALDH1A1STS
SCHEMBL4914447 0.81 GPR119 (0.53) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL13991764 0.81 GPR119 (0.53) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL22467690 0.80 KDM4E (0.55) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL21074855 0.80 KDM4E (0.55) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL6498471 0.80 KDM4E (0.55) GPR119USP30ALDH1A1NPC1MAPT
SCHEMBL29862513 0.79 ALDH1A1 (0.52) IDO1GPR119USP30ALDH1A1NPC1
SCHEMBL1880284 0.79 ALDH1A1 (0.52) IDO1GPR119USP30ALDH1A1NPC1
SCHEMBL13991761 0.79 USP30 (0.46) IDO1GPR119USP30ALDH1A1NPC1

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
WO-2004032856-A2 COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed