SCHEMBL1844975

SCHEMBL1844975

CCc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCc4ccccc4)c3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 5/20 0.78
HTR6 P50406 2/20 0.68
MAPT P10636 11/20 0.67
ALDH1A1 P00352 10/20 0.67
LMNA P02545 4/20 0.67
NPC1 O15118 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MAPK1 P28482 3/20 0.67
RAB9A P51151 2/20 0.67
NPSR1 Q6W5P4 4/20 0.62
CYP3A4 P08684 3/20 0.60
CYP2C9 P11712 3/20 0.60
CYP2C19 P33261 3/20 0.60
HTT P42858 2/20 0.60
SIRT6 Q8N6T7 1/20 0.55
CYP1A2 P05177 2/20 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
SCHEMBL2762508 0.95 DCTPP1 (0.72) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1844113 0.93 HTR6 (0.73) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1841808 0.92 ALDH1A1 (0.76) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1845809 0.91 DCTPP1 (0.81) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1844129 0.90 HTR6 (0.67) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1844684 0.90 MAPT (0.68) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1844422 0.90 ALDH1A1 (0.80) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1844857 0.90 HTR6 (0.66) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1842540 0.88 MAPT (0.66) DCTPP1HTR6MAPTALDH1A1LMNA
SCHEMBL1842537 0.87 ALDH1A1 (0.67) DCTPP1HTR6MAPTALDH1A1LMNA

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