SCHEMBL13664780

SCHEMBL13664780

CCOCC1NCCCN(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.77
SLC6A4 P31645 16/20 0.77
SLC6A3 Q01959 12/20 0.77
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP3 P42574 1/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL13664778 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13664680 0.87 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13664892 0.85 SLC6A2 (0.82) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13665273 0.83 SLC6A2 (0.78) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13665280 0.81 SLC6A2 (0.76) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13664674 0.78 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL13664779 0.75 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL13664720 0.75 SLC6A2 (0.70) SLC6A2SLC6A4SLC6A3
SCHEMBL13664815 0.71 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MAPTMAPK1
SCHEMBL13664679 0.69 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3ALDH1A1HPGD

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