SCHEMBL13664695

SCHEMBL13664695

CC(C)CC1C(=O)N(c2ccc(Cl)c(Cl)c2)CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.43
SLC6A4 P31645 8/20 0.43
SLC6A3 Q01959 6/20 0.43
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.38
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
ROCK2 O75116 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL13664810 0.87 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13664815 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13664873 0.85 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13664904 0.85 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13664685 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13664902 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13664817 0.82 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13664818 0.72 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD
SCHEMBL13664895 0.71 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3OPRK1ALDH1A1
SCHEMBL13665280 0.69 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3

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