SCHEMBL650851

SCHEMBL650851

CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.50
STS P08842 1/20 0.50
JAK2 O60674 1/20 0.50
JAK1 P23458 1/20 0.50
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
LMNA P02545 1/20 0.47
TACR1 P25103 1/20 0.46
USP30 Q70CQ3 4/20 0.45
ACHE P22303 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL1586006 1.00 GPR119 (0.50) GPR119STSJAK2JAK1KEAP1
SCHEMBL25568095 0.92 GPR119 (0.51) GPR119STSJAK2JAK1KEAP1
SCHEMBL5477485 0.87 GPR119 (0.52) GPR119STSJAK2JAK1KEAP1
SCHEMBL556613 0.87 GPR119 (0.52) GPR119STSJAK2JAK1KEAP1
SCHEMBL5477496 0.87 GPR119 (0.52) GPR119STSJAK2JAK1KEAP1
SCHEMBL25568094 0.86 GPR119 (0.53) GPR119STSJAK2JAK1KEAP1
SCHEMBL556232 0.85 STS (0.53) GPR119STSJAK2JAK1KEAP1
SCHEMBL2252656 0.85 STS (0.53) GPR119STSJAK2JAK1KEAP1
SCHEMBL29643908 0.85 STS (0.53) GPR119STSJAK2JAK1KEAP1
SCHEMBL2253056 0.85 STS (0.53) GPR119STSJAK2JAK1KEAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119635-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2012-02-21 US disclosed
EP-2298775-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-23 EP disclosed
EP-2295437-A1 Diazabicyclic central nervous system active agents Abbott Laboratories (US) 2011-03-16 EP disclosed