SCHEMBL13664818

SCHEMBL13664818

CC(C)(C)OC(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)C(=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.51
SLC6A4 P31645 7/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ESR2 Q92731 1/20 0.46
SLC6A3 Q01959 4/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NR1H2 P55055 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL13664691 0.93 MAPT (0.50) SLC6A2SLC6A4MEN1KMT2AESR2
SCHEMBL13664698 0.83 MEN1 (0.42) SLC6A2SLC6A4MEN1KMT2AESR2
SCHEMBL30208188 0.78 MAPT (0.72) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL15797078 0.78 MAPT (0.72) MEN1KMT2AMAPTSMN1; SMN2MAPK1
SCHEMBL13664685 0.76 SLC6A2 (0.50) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL13664902 0.76 SLC6A2 (0.46) SLC6A2SLC6A4MEN1KMT2ASLC6A3
SCHEMBL20929548 0.75 NR1H2 (0.65) MEN1KMT2AESR2MAPK1ALDH1A1
SCHEMBL3872052 0.74 ESR2 (0.56) MEN1KMT2AESR2MAPTSMN1; SMN2
SCHEMBL13664895 0.74 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3MAPTSMN1; SMN2
SCHEMBL13664725 0.74 SLC6A2 (0.42) SLC6A2SLC6A4MEN1KMT2AESR2

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