SCHEMBL2830259

SCHEMBL2830259

COc1cc(C(=O)C=CN2CCC(N3CCCC3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
ALDH1A1 P00352 4/20 0.60
USP2 O75604 1/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
RAB9A P51151 4/20 0.56
APP P05067 7/20 0.52
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
PKM P14618 1/20 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
SCHEMBL4378352 0.93 ALDH1A1 (0.57) NPC1ALDH1A1USP2LMNAMAPT
SCHEMBL4379194 0.92 ALDH1A1 (0.59) NPC1ALDH1A1USP2LMNAMAPT
SCHEMBL4382276 0.80 NPC1 (0.55) NPC1ALDH1A1USP2LMNAMAPT
SCHEMBL2830260 0.79 APP (0.82) ALDH1A1APPHPGDSMN1; SMN2KDM4E
SCHEMBL4376027 0.79 NPC1 (0.53) NPC1ALDH1A1USP2LMNAMAPT
SCHEMBL12381279 0.78 L3MBTL3 (0.62) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL12381290 0.77 L3MBTL3 (0.61) ALDH1A1KDM4E
SCHEMBL2829775 0.76 ALDH1A1 (0.54) NPC1ALDH1A1USP2LMNAMAPT
SCHEMBL2829096 0.74 ALDH1A1 (0.51) NPC1ALDH1A1USP2LMNAMAPT
SCHEMBL2831398 0.74 ALDH1A1 (0.50) NPC1ALDH1A1USP2LMNAMAPT

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