SCHEMBL2833138

SCHEMBL2833138

COc1ccc(C(=O)C=CN2CCC(N3CCCC3)CC2)c(Cl)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 7/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
TP53BP1 Q12888 2/20 0.39
L3MBTL3 Q96JM7 2/20 0.39
MBTD1 Q05BQ5 1/20 0.39
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 2/20 0.38
HPGD P15428 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCL1 Q07820 1/20 0.38
SHMT2 P34897 1/20 0.37
KDM2B Q8NHM5 3/20 0.37

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
SCHEMBL4377225 0.92 ALDH1A1 (0.44) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL4377581 0.91 ALDH1A1 (0.46) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL2831500 0.85 KDM4E (0.50) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL2829096 0.81 ALDH1A1 (0.51) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL2829559 0.81 KDM2B (0.55) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL4383089 0.77 ALDH1A1 (0.41) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL4379172 0.77 ALDH1A1 (0.41) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL4382981 0.76 GAA (0.53) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL4380856 0.75 GAA (0.52) ALDH1A1LMNANPC1USP2MAPT
SCHEMBL2833140 0.74 HPGD (0.50) ALDH1A1NPC1MAPTKDM4EHPGD

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