SCHEMBL2829559

SCHEMBL2829559

COc1ccc(C(=O)C=CN2CCC(N3CCCC3)CC2)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.55
ABCG2 Q9UNQ0 5/20 0.51
MAPT P10636 5/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TNFRSF1A P19438 1/20 0.50
ALDH1A1 P00352 3/20 0.49
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 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
SCHEMBL4377580 0.91 KDM2B (0.55) KDM2BABCG2MAPTRAB9ANPC1
SCHEMBL4378208 0.90 KDM2B (0.54) KDM2BABCG2MAPTRAB9ANPC1
SCHEMBL2829096 0.85 ALDH1A1 (0.51) ABCG2MAPTRAB9ANPC1MEN1
SCHEMBL2833138 0.81 ALDH1A1 (0.46) KDM2BMAPTNPC1ALDH1A1LMNA
SCHEMBL2831398 0.80 ALDH1A1 (0.50) KDM2BABCG2MAPTNPC1ALDH1A1
SCHEMBL2831500 0.80 KDM4E (0.50) MAPTNPC1MEN1KMT2AALDH1A1
SCHEMBL2829775 0.80 ALDH1A1 (0.54) KDM2BABCG2MAPTRAB9ANPC1
SCHEMBL6311842 0.76 MAPT (0.56) ABCG2MAPTRAB9ANPC1MEN1
SCHEMBL4375757 0.76 ABCG2 (0.51) ABCG2MAPTRAB9ANPC1MEN1
SCHEMBL4380518 0.75 ABCB1 (0.52) ABCG2MAPTRAB9ANPC1MEN1

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