SCHEMBL2830951

SCHEMBL2830951

O=C(C=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 17/20 0.59
L3MBTL1 Q9Y468 9/20 0.59
SMN1; SMN2 Q16637 7/20 0.59
HTT P42858 5/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 15/20 0.58
LMNA P02545 11/20 0.58
MAPK1 P28482 7/20 0.58
TDP1 Q9NUW8 4/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MEN1 O00255 2/20 0.58
TP53 P04637 2/20 0.54
ALDH1A3 P47895 1/20 0.54
GAA P10253 2/20 0.53
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 2/20 0.50
L3MBTL3 Q96JM7 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46

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
SCHEMBL13090297 1.00 MAPT (0.59) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL4382804 0.93 MAPT (0.60) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL13636002 0.93 MAPT (0.60) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL4377268 0.92 MAPT (0.59) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL14190935 0.92 MAPT (0.59) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL14190934 0.81 MAPT (0.61) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL4378302 0.81 MAPT (0.61) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL7821114 0.80 MAPT (0.69) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL7821117 0.80 MAPT (0.69) MAPTL3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL14190955 0.80 MAPT (0.59) MAPTL3MBTL1SMN1; SMN2HTTKMT2A

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