SCHEMBL2763441

SCHEMBL2763441

Nc1cc(N2CC[N]CC2)ccc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.48
LRRK2 Q5S007 9/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
CYP3A4 P08684 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
HTR1A P08908 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL3139131 0.84 HTR6 (0.67) HTR6LRRK2KDM4EGAAMAPT
SCHEMBL2762557 0.80 HTR6 (0.56) HTR6LRRK2KDM4EMEN1ALDH1A1
SCHEMBL2762828 0.79 POLB (0.56) HTR6MEN1MAPTKMT2ACYP3A4
SCHEMBL1841372 0.78 SLC6A7 (0.52) KDM4EALDH1A1GAAMAPTMAPK1
SCHEMBL4671542 0.78 ALOX5 (0.54) KDM4EALDH1A1MAPTALOX12MAPK1
SCHEMBL4673297 0.77 MAPT (0.50) KDM4EMEN1ALDH1A1TP53GAA
SCHEMBL14852797 0.77 HTR6 (0.45) HTR6LRRK2KDM4EMEN1ALDH1A1
SCHEMBL4801336 0.76 GHSR (0.54) HTR6LRRK2MAPTKMT2ASLC6A4
SCHEMBL4801345 0.76 GHSR (0.54) HTR6LRRK2MAPTKMT2ASLC6A4
SCHEMBL2762254 0.76 ALDH1A1 (0.44) KDM4EMEN1ALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO disclosed