SCHEMBL13664698

SCHEMBL13664698

CC(C)(C)OC(=O)N1CCCN(c2ccc3ccccc3c2)C(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GPR119 Q8TDV5 1/20 0.42
ESR2 Q92731 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
SLC6A3 Q01959 4/20 0.41
NR1H2 P55055 1/20 0.41
USP30 Q70CQ3 1/20 0.41
PDK2 Q15119 1/20 0.39
PDE10A Q9Y233 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 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
SCHEMBL13664818 0.83 SLC6A2 (0.51) MEN1KMT2AGPR119ESR2SLC6A2
SCHEMBL13664691 0.76 MAPT (0.50) MEN1KMT2AGPR119ESR2SLC6A2
SCHEMBL13665296 0.75 PIK3CD (0.41) MEN1KMT2AGPR119ESR2SLC6A2
SCHEMBL27852746 0.75 ALDH1A1 (0.54) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL20929548 0.74 NR1H2 (0.65) MEN1KMT2AESR2NR1H2NPC1
Diphenylether SCHEMBL27989772 0.74 MEN1 (0.55) MEN1KMT2AGPR119CKS1BSKP1
SCHEMBL3872052 0.74 ESR2 (0.56) MEN1KMT2AESR2NR1H2PDK2
SCHEMBL1779308 0.74 MAPK1 (0.55) MEN1KMT2AGPR119PDK2NAMPT
SCHEMBL14894490 0.73 LMNA (0.43) GPR119ESR2NR1H2USP30NPC1
SCHEMBL8250733 0.72 MEN1 (0.47) MEN1KMT2AGPR119PDK2

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-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed