SCHEMBL1847696

SCHEMBL1847696

c1ccc(COc2ccc(N3CCNCC3)cc2Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.56
HTR1A P08908 1/20 0.54
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
LRRK2 Q5S007 4/20 0.54
TLR9 Q9NR96 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PRMT5 O14744 2/20 0.43
KDM1A O60341 1/20 0.42

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
SCHEMBL2762557 0.86 HTR6 (0.56) HTR6LRRK2KDM4EMEN1ALDH1A1
SCHEMBL7930794 0.80 HTR6 (0.53) HTR6LRRK2TLR9TLR7KDM4E
SCHEMBL2767207 0.80 SLC6A4 (0.59) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2766477 0.80 HTR1A (0.59) HTR6HTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL8888785 0.79 HTR1A (0.61) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL19381516 0.78 HTR1A (0.67) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23259461 0.77 HTR1A (0.55) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL19381132 0.77 HTR1A (0.66) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL1845491 0.75 HTR6 (0.59) HTR6HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL23259451 0.74 LRRK2 (0.62) HTR6HTR1ASLC6A2SLC6A4SLC6A3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102170882-A Compositions and methods of treating amyloid disease TREVENTIS CORP 2011-08-31 CN disclosed
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO disclosed