SCHEMBL2829558

SCHEMBL2829558

CC(=O)c1ccccc1OCC(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
CYP2D6 P10635 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 5/20 0.54
TP53BP1 Q12888 1/20 0.54
L3MBTL3 Q96JM7 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
KDM4E B2RXH2 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL4378330 0.91 KDM4E (0.63) ACHESMN1; SMN2NPSR1POLBKDM4E
SCHEMBL4383226 0.89 KDM4E (0.62) ACHESMN1; SMN2NPSR1POLBKDM4E
SCHEMBL2832012 0.84 ACHE (0.64) ACHESMN1; SMN2CYP2D6CYP2C19NPSR1
SCHEMBL2830956 0.83 CYP2D6 (0.64) ACHESMN1; SMN2CYP2D6CYP2C19NPSR1
SCHEMBL2830318 0.82 POLB (0.76) ACHESMN1; SMN2CYP2D6CYP2C19NPSR1
SCHEMBL2829296 0.81 KDM4E (0.62) ACHESMN1; SMN2CYP2D6CYP2C19NPSR1
SCHEMBL2832017 0.79 MEN1 (0.61) ACHESMN1; SMN2CYP2D6CYP2C19NPSR1
SCHEMBL2829286 0.78 ACHE (0.69) ACHESMN1; SMN2CYP2D6CYP2C19NPSR1
SCHEMBL14218134 0.78 ALDH1A1 (0.57) ACHESMN1; SMN2CYP2C19POLBKDM4E
SCHEMBL2836569 0.75 ACHE (0.72) ACHESMN1; SMN2CYP2D6CYP2C19NPSR1

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