SCHEMBL2787028

SCHEMBL2787028

CCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.74
DCTPP1 Q9H773 4/20 0.59
SIRT6 Q8N6T7 1/20 0.59
MAPT P10636 10/20 0.58
ALDH1A1 P00352 7/20 0.58
NPSR1 Q6W5P4 4/20 0.58
HTT P42858 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 2/20 0.57
CYP1A2 P05177 2/20 0.57
LMNA P02545 3/20 0.56
MAPK1 P28482 3/20 0.56
L3MBTL1 Q9Y468 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 0.87 HTR6 (0.73) HTR6DCTPP1SIRT6MAPTALDH1A1
SCHEMBL2762508 0.86 DCTPP1 (0.72) HTR6DCTPP1SIRT6MAPTALDH1A1
SCHEMBL1844975 0.86 DCTPP1 (0.78) HTR6DCTPP1SIRT6MAPTALDH1A1
SCHEMBL2483723 0.86 HTR6 (1.00) HTR6SIRT6MAPTNPSR1HTT
SCHEMBL1841808 0.85 ALDH1A1 (0.76) HTR6DCTPP1SIRT6MAPTALDH1A1
SCHEMBL5277011 0.85 HTR6 (0.69) HTR6DCTPP1SIRT6MAPTALDH1A1
SCHEMBL12259171 0.84 DCTPP1 (0.78) HTR6DCTPP1SIRT6MAPTALDH1A1
SCHEMBL1842540 0.84 MAPT (0.66) HTR6DCTPP1MAPTALDH1A1NPSR1
SCHEMBL1842809 0.83 HTR6 (0.65) HTR6DCTPP1SIRT6MAPTALDH1A1
SCHEMBL1844684 0.83 MAPT (0.68) HTR6DCTPP1SIRT6MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118347-A2 O-LINKED GLYCAN BIOSYNTHESIS MODULATORS ZACHARON PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed