SCHEMBL2829563

SCHEMBL2829563

O=C(C=Cc1cccc2ccccc12)N1CCC(N2CCCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 1/20 0.64
L3MBTL1 Q9Y468 9/20 0.52
L3MBTL3 Q96JM7 9/20 0.52
MBTD1 Q05BQ5 5/20 0.52
TP53BP1 Q12888 3/20 0.52
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45

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
SCHEMBL13090050 1.00 KDM4E (0.64) KDM4ENPC1RAB9AL3MBTL1L3MBTL3
SCHEMBL13090047 0.99 KDM4E (0.62) KDM4ENPC1RAB9AL3MBTL1L3MBTL3
SCHEMBL4378578 0.90 KDM4E (0.64) KDM4ENPC1RAB9AL3MBTL1HPGD
SCHEMBL13636362 0.90 KDM4E (0.64) KDM4ENPC1RAB9AL3MBTL1HPGD
SCHEMBL4384269 0.89 KDM4E (0.62) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL4376224 0.89 KDM4E (0.62) KDM4ENPC1RAB9AL3MBTL1HPGD
SCHEMBL13636004 0.89 KDM4E (0.62) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3767553 0.82 KDM4E (0.54) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL3767551 0.82 KDM4E (0.54) KDM4ENPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL29738487 0.77 KDM4E (0.62) KDM4ENPC1RAB9AL3MBTL1HPGD

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