SCHEMBL13664716

SCHEMBL13664716

Cc1c(N2CCCNCC2=O)ccc(Cl)c1Cl

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.58
SLC6A4 P31645 14/20 0.58
SLC6A3 Q01959 12/20 0.58
PNMT P11086 2/20 0.38
CYBB P04839 2/20 0.36
NOX5 Q96PH1 2/20 0.36
NOX4 Q9NPH5 2/20 0.36
NOX1 Q9Y5S8 2/20 0.36
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
P2RX7 Q99572 1/20 0.33
CXCR4 P61073 1/20 0.33

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
SCHEMBL13664823 0.84 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3CYBBNOX5
SCHEMBL13664710 0.78 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CYBBNOX5
SCHEMBL13664702 0.78 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3CYBBNOX5
SCHEMBL13664863 0.74 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL13664891 0.72 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYBBNOX5
SCHEMBL8306364 0.72 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL20203588 0.70 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CXCR4
SCHEMBL8560632 0.70 HSD17B10 (0.46)
SCHEMBL13664684 0.70 SLC6A2 (0.91) SLC6A2SLC6A4SLC6A3
SCHEMBL31537000 0.69 SLC6A4 (0.51) 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