SCHEMBL586007

SCHEMBL586007

CC(CO)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GPR119 Q8TDV5 6/20 0.41
FAAH O00519 1/20 0.41
TRPV3 Q8NET8 1/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39

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
SCHEMBL586442 1.00 NR1H2 (0.46) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL20061028 0.94 KDM4E (0.49) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL20784540 0.87 NR1H2 (0.46) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL25311379 0.85 NR1H2 (0.46) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL25314249 0.85 NR1H2 (0.46) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL364778 0.84 NR1H2 (0.51) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL31662078 0.84 NR1H2 (0.51) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL344474 0.84 NR1H2 (0.51) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL6398279 0.84 NR1H2 (0.51) NR1H2KDM4EPKMHPGDALDH1A1
SCHEMBL25547496 0.83 KDM4E (0.49) NR1H2KDM4EPKMHPGDALDH1A1

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
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 EP disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 WO disclosed