SCHEMBL2829296

SCHEMBL2829296

O=C(COc1cccc2ccccc12)N1CCC(N2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPT P10636 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
HSD17B10 Q99714 2/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.61
ACHE P22303 1/20 0.60
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
RECQL P46063 1/20 0.57
RAB9A P51151 2/20 0.57
PREP P48147 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MBTD1 Q05BQ5 1/20 0.51
TP53BP1 Q12888 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL4378942 0.91 KDM4E (0.65) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL4377948 0.89 KDM4E (0.64) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL3770333 0.85 KDM4E (0.58) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL27979632 0.85 ALDH1A1 (0.82) KDM4EALDH1A1MAPTNPSR1HSD17B10
SCHEMBL2830318 0.82 POLB (0.76) KDM4EALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL2832012 0.82 ACHE (0.64) KDM4EALDH1A1NPSR1SMN1; SMN2ACHE
SCHEMBL2829558 0.81 ACHE (0.60) KDM4EALDH1A1NPSR1SMN1; SMN2ACHE
SCHEMBL2832017 0.81 MEN1 (0.61) KDM4EALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL2830956 0.81 CYP2D6 (0.64) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL2831262 0.80 NPC1 (0.76) KDM4EALDH1A1MAPTNPSR1LMNA

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 4 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
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