SCHEMBL2830950

SCHEMBL2830950

O=C(C=CN1CCC(N2CCCC2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.55
MAPT P10636 10/20 0.55
MAPK1 P28482 7/20 0.55
LMNA P02545 6/20 0.55
TDP1 Q9NUW8 5/20 0.55
HTT P42858 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 6/20 0.54
GAA P10253 2/20 0.54
PKM P14618 1/20 0.54
POLB P06746 3/20 0.53
SMN1; SMN2 Q16637 5/20 0.52
TP53 P04637 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.51
KDM4E B2RXH2 1/20 0.51
SLC12A2 P55011 1/20 0.48
SLC12A5 Q9H2X9 1/20 0.48

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
SCHEMBL4380589 0.93 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4377264 0.92 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4378301 0.81 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4379024 0.80 ALDH1A1 (0.57) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4375429 0.80 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL4375447 0.78 ALDH1A1 (0.55) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL13090297 0.77 MAPT (0.59) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL2830951 0.77 MAPT (0.59) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL6606220 0.76 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1LMNATDP1
SCHEMBL23852127 0.75 ALDH1A1 (0.62) ALDH1A1MAPTMAPK1LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP claimed
EP-2243776-A1 Substituted piperidines and their use for the treatment of diseases related to the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2010-10-27 EP disclosed
US-7064135-B2 Substituted piperidines NOVO NORDISK INC. (DK) 2006-06-20 US disclosed