SCHEMBL2832017

SCHEMBL2832017

O=C(COc1cccc(Cl)c1Cl)N1CCC(N2CCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
POLB P06746 2/20 0.60
SIGMAR1 Q99720 1/20 0.59
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ACHE P22303 4/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 1/20 0.49
KDM4E B2RXH2 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.47
CCR3 P51677 1/20 0.47

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
SCHEMBL4379398 0.91 KDM4E (0.60) MEN1KMT2APOLBSIGMAR1CYP2D6
SCHEMBL4377207 0.89 KDM4E (0.59) MEN1KMT2APOLBSIGMAR1CYP2D6
SCHEMBL2830318 0.89 POLB (0.76) MEN1KMT2APOLBCYP2D6CYP2C19
SCHEMBL2830956 0.81 CYP2D6 (0.64) MEN1KMT2APOLBCYP2D6CYP2C19
SCHEMBL2829296 0.81 KDM4E (0.62) MEN1KMT2APOLBCYP2D6CYP2C19
SCHEMBL2832012 0.80 ACHE (0.64) MEN1KMT2APOLBCYP2D6CYP2C19
SCHEMBL2829558 0.79 ACHE (0.60) MEN1KMT2APOLBCYP2D6CYP2C19
SCHEMBL2836569 0.75 ACHE (0.72) MEN1KMT2APOLBCYP2D6CYP2C19
SCHEMBL3768125 0.75 MEN1 (0.62) MEN1KMT2APOLBNPSR1ACHE
SCHEMBL8762876 0.74 SIGMAR1 (1.00) SIGMAR1

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