SCHEMBL2833287

SCHEMBL2833287

O=C(C=CN1CCC(N2CCCCC2)CC1)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HIF1A Q16665 1/20 0.49
L3MBTL3 Q96JM7 7/20 0.49
L3MBTL1 Q9Y468 6/20 0.49
MBTD1 Q05BQ5 3/20 0.49
TP53BP1 Q12888 2/20 0.49
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43
BCHE P06276 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GPR52 Q9Y2T5 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
SCHEMBL2829562 0.99 GAA (0.53) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL4384264 0.90 GAA (0.52) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL4378574 0.89 GAA (0.53) GAAKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4376221 0.88 GAA (0.52) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL2829096 0.80 ALDH1A1 (0.51) KDM4EMEN1KMT2AALDH1A1L3MBTL3
SCHEMBL2831500 0.77 KDM4E (0.50) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL4377273 0.73 GPR52 (0.44) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL13090047 0.72 KDM4E (0.62) KDM4EMEN1KMT2AALDH1A1HIF1A
SCHEMBL2829775 0.72 ALDH1A1 (0.54) KDM4EMEN1KMT2AALDH1A1L3MBTL3
SCHEMBL11527779 0.72 NR4A1 (0.63) GAAKDM4EMEN1KMT2AALDH1A1

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 2 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