SCHEMBL5083203

SCHEMBL5083203

Cc1ccc(OC(CCN)c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNK2 O95069 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1C Q13936 1/20 0.51
SLC7A5 Q01650 7/20 0.42
SLC6A9 P48067 3/20 0.40
HTR1A P08908 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37

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
Hydrochloric Acid SCHEMBL2835 0.98 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL684955 0.84 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL7310720 0.78 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17280828 0.78 SLC7A5 (0.63) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Sulfuric Acid SCHEMBL143603 0.77 SLC6A4 (0.57) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17280858 0.74 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17280857 0.74 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17278094 0.74 SLC7A5 (0.71) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL17280834 0.73 SLC7A5 (0.58) SLC6A4SLC6A2SLC6A3SLC7A5HRH3
SCHEMBL17280831 0.73 SLC7A5 (0.69) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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