SCHEMBL1842809

SCHEMBL1842809

O=C(c1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.65
ALDH1A1 P00352 11/20 0.61
MAPT P10636 11/20 0.61
NPSR1 Q6W5P4 5/20 0.61
DCTPP1 Q9H773 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
MAPK1 P28482 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
CYP3A4 P08684 3/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP1A2 P05177 1/20 0.52
SIRT6 Q8N6T7 1/20 0.52

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
SCHEMBL1844113 0.92 HTR6 (0.73) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL1846585 0.91 MAPT (0.71) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL1845644 0.90 HTR6 (0.65) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL1843887 0.90 HTR6 (0.65) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL1844975 0.87 DCTPP1 (0.78) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL2762508 0.87 DCTPP1 (0.72) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL2762728 0.86 HTR6 (0.60) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL2762727 0.86 HTR6 (0.62) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL1843982 0.86 HTR6 (0.67) HTR6ALDH1A1MAPTNPSR1DCTPP1
SCHEMBL1844129 0.86 HTR6 (0.67) HTR6ALDH1A1MAPTNPSR1DCTPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP claimed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO claimed
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