SCHEMBL5289403

SCHEMBL5289403

CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](O)c2cccc(I)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.40
USP30 Q70CQ3 5/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 4/20 0.37
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHA2 P29317 2/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL5289397 1.00 PDE4B (0.40) PDE4BUSP30USP2SMN1; SMN2GPR119
SCHEMBL5289408 1.00 PDE4B (0.40) PDE4BUSP30USP2SMN1; SMN2GPR119
SCHEMBL3329066 0.88 GPR119 (0.44) PDE4BUSP30USP2SMN1; SMN2GPR119
SCHEMBL13299453 0.88 GPR119 (0.44) PDE4BUSP30USP2SMN1; SMN2GPR119
SCHEMBL3325332 0.88 GPR119 (0.44) PDE4BUSP30USP2SMN1; SMN2GPR119
SCHEMBL3327776 0.88 GPR119 (0.44) PDE4BUSP30USP2SMN1; SMN2GPR119
SCHEMBL970288 0.88 STS (0.44) PDE4BUSP30SMN1; SMN2MAPTEPHA2
SCHEMBL970289 0.88 STS (0.44) PDE4BUSP30SMN1; SMN2MAPTEPHA2
SCHEMBL970287 0.88 STS (0.44) PDE4BUSP30SMN1; SMN2MAPTEPHA2
SCHEMBL3329274 0.87 USP30 (0.45) USP30USP2SMN1; SMN2GPR119KDM4E

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-2007005935-A2 NOREPINEPHRINE TRANSPORTER RADIOTRACERS AND METHODS OF SYNTHESES THEREOF MOLECULAR NEUROIMAGING, LLC (US) 2007-01-11 WO disclosed