SCHEMBL2829562

SCHEMBL2829562

O=C(C=CN1CCC(N2CCCC2)CC1)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
L3MBTL3 Q96JM7 5/20 0.50
L3MBTL1 Q9Y468 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53BP1 Q12888 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HIF1A Q16665 1/20 0.50
MBTD1 Q05BQ5 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
BCHE P06276 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2833287 0.99 GAA (0.52) GAAL3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL4378574 0.90 GAA (0.53) GAAL3MBTL3L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL4376221 0.89 GAA (0.52) GAAL3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL4384264 0.89 GAA (0.52) GAAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2829096 0.78 ALDH1A1 (0.51) L3MBTL3L3MBTL1MEN1KMT2ATP53BP1
SCHEMBL2831500 0.78 KDM4E (0.50) GAAL3MBTL3L3MBTL1MEN1KMT2A
SCHEMBL4377273 0.74 GPR52 (0.44) GAAL3MBTL1MEN1KMT2AKDM4E
SCHEMBL11527779 0.72 NR4A1 (0.63) GAAL3MBTL1MEN1KMT2AKDM4E
SCHEMBL4375430 0.72 HRH3 (0.48) GAAL3MBTL1MEN1KMT2AKDM4E
SCHEMBL4378514 0.72 GPR52 (0.45) L3MBTL1MEN1KMT2AKDM4EALDH1A1

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