SCHEMBL13664710

SCHEMBL13664710

O=C1CNCCCN1c1cc(Cl)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.63
SLC6A4 P31645 5/20 0.63
SLC6A3 Q01959 5/20 0.63
MAPT P10636 1/20 0.49
USP2 O75604 1/20 0.42
CXCR4 P61073 2/20 0.42
ADRA1B P35368 4/20 0.41
HTR1A P08908 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
NOTUM Q6P988 1/20 0.39
CYBB P04839 2/20 0.39
NOX5 Q96PH1 2/20 0.39
NOX4 Q9NPH5 2/20 0.39
NOX1 Q9Y5S8 2/20 0.39
ALOX15 P16050 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
SCHEMBL31537000 0.91 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3MAPTUSP2
SCHEMBL13664702 0.82 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3MAPTADRA1B
SCHEMBL13664716 0.78 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CXCR4CYBB
SCHEMBL13664863 0.78 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3MAPTL3MBTL1
SCHEMBL13664742 0.78 MAPT (0.50) SLC6A2SLC6A4SLC6A3MAPTUSP2
SCHEMBL9982890 0.77 NPSR1 (0.43) SLC6A2SLC6A4SLC6A3MAPTALDH1A1
SCHEMBL13664891 0.77 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CXCR4ALDH1A1
SCHEMBL13664823 0.74 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3MAPTMEN1
SCHEMBL13664684 0.73 SLC6A2 (0.91) SLC6A2SLC6A4SLC6A3
SCHEMBL13664888 0.72 SLC6A2 (0.79) SLC6A2SLC6A4SLC6A3TSHR

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