SCHEMBL1845644

SCHEMBL1845644

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

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.65
ALDH1A1 P00352 9/20 0.61
MAPT P10636 8/20 0.61
NPSR1 Q6W5P4 3/20 0.61
LMNA P02545 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
DCTPP1 Q9H773 4/20 0.56
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
HTT P42858 2/20 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) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1840598 0.91 MAPT (0.71) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1843887 0.90 HTR6 (0.65) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1842809 0.90 HTR6 (0.65) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL2762727 0.86 HTR6 (0.62) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1844245 0.86 DCTPP1 (0.69) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1846393 0.86 HTR6 (0.67) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1841808 0.86 ALDH1A1 (0.76) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1844129 0.86 HTR6 (0.67) HTR6ALDH1A1MAPTNPSR1LMNA
SCHEMBL1844857 0.85 HTR6 (0.66) HTR6ALDH1A1MAPTNPSR1LMNA

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-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