SCHEMBL1844129

SCHEMBL1844129

O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.67
ALDH1A1 P00352 10/20 0.63
MAPT P10636 10/20 0.63
LMNA P02545 4/20 0.63
NPC1 O15118 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 3/20 0.63
RAB9A P51151 2/20 0.63
NPSR1 Q6W5P4 4/20 0.63
DCTPP1 Q9H773 4/20 0.62
CYP3A4 P08684 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
HTT P42858 1/20 0.61
CYP1A2 P05177 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53

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 0.93 HTR6 (0.73) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1843887 0.91 HTR6 (0.65) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1841808 0.91 ALDH1A1 (0.76) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1844591 0.91 MAPT (0.73) HTR6ALDH1A1MAPTLMNAMAPK1
SCHEMBL2762508 0.90 DCTPP1 (0.72) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1844975 0.90 DCTPP1 (0.78) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1844422 0.89 ALDH1A1 (0.80) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1844857 0.89 HTR6 (0.66) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1844684 0.87 MAPT (0.68) HTR6ALDH1A1MAPTLMNANPC1
SCHEMBL1842537 0.86 ALDH1A1 (0.67) HTR6ALDH1A1MAPTLMNANPC1

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 claimed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO claimed