SCHEMBL5079373

SCHEMBL5079373

NCCC(Oc1cccc2ccccc12)c1ccoc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 17/20 0.56
SLC6A2 P23975 15/20 0.56
SLC6A3 Q01959 1/20 0.56
HTR1B P28222 2/20 0.43

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
SCHEMBL28017684 0.83 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3HTR1B
SCHEMBL541162 0.83 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3HTR1B
SCHEMBL29974656 0.82 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL21742901 0.82 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL23521648 0.82 SLC6A2 (0.38) SLC6A4SLC6A2SLC6A3
Bromide SCHEMBL6903611 0.82 SLC6A2 (0.66) SLC6A4SLC6A2SLC6A3HTR1B
Cadaverine Tartrate SCHEMBL3757 0.76 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3
SCHEMBL5083226 0.74 SLC6A2 (0.57) SLC6A4SLC6A2SLC6A3
SCHEMBL17278119 0.74 SLC6A2 (0.63) SLC6A4SLC6A2SLC6A3HTR1B
Oxalic Acid SCHEMBL8718092 0.72 PPARG (0.44) SLC6A4SLC6A2SLC6A3

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-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed