SCHEMBL2829098

SCHEMBL2829098

O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC(N2CCCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 11/20 0.67
KMT2A Q03164 5/20 0.67
ALDH1A1 P00352 4/20 0.67
MEN1 O00255 4/20 0.67
MAPT P10636 5/20 0.61
TSHR P16473 3/20 0.61
USP2 O75604 1/20 0.61
NPSR1 Q6W5P4 5/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
SIGMAR1 Q99720 2/20 0.58
HTT P42858 3/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GAA P10253 1/20 0.57
ENPP2 Q13822 1/20 0.56
ALOX12 P18054 1/20 0.54

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
SCHEMBL4378295 0.91 HPGD (0.70) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL4381856 0.90 HPGD (0.69) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL2829777 0.89 HPGD (0.78) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL24163544 0.88 HPGD (0.79) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL3456248 0.87 HPGD (0.77) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL13401521 0.84 HPGD (0.67) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL3275707 0.81 HPGD (0.65) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL4377454 0.81 HPGD (0.74) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL3281854 0.80 HPGD (0.67) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL24163542 0.80 HPGD (1.00) HPGDKMT2AALDH1A1MEN1MAPT

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