SCHEMBL1844192

SCHEMBL1844192

CCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.64
ALDH1A1 P00352 9/20 0.64
NPSR1 Q6W5P4 5/20 0.64
SIRT6 Q8N6T7 1/20 0.59
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
DCTPP1 Q9H773 4/20 0.57
CYP1A2 P05177 2/20 0.57
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.54
HTR6 P50406 1/20 0.54
MAPK1 P28482 2/20 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
SCHEMBL1850001 0.94 MAPT (0.66) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL2762728 0.92 HTR6 (0.60) MAPTALDH1A1NPSR1CYP3A4CYP2C9
SCHEMBL1840597 0.92 MAPT (0.66) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL1843164 0.90 MAPT (0.68) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL30360208 0.90 MAPT (0.68) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL1844190 0.89 MAPT (0.66) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL1844702 0.89 MAPT (0.66) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL1843205 0.86 MAPT (0.82) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL1841490 0.86 MAPT (0.75) MAPTALDH1A1NPSR1SIRT6CYP3A4
SCHEMBL1846585 0.86 MAPT (0.71) MAPTALDH1A1NPSR1SIRT6CYP3A4

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