SCHEMBL2829777

SCHEMBL2829777

Cc1cc(Cl)ccc1OCCCC(=O)N1CCC(N2CCCC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.78
KMT2A Q03164 6/20 0.78
MEN1 O00255 5/20 0.78
RAB9A P51151 4/20 0.78
NPC1 O15118 3/20 0.78
NPSR1 Q6W5P4 3/20 0.78
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
ALDH1A1 P00352 6/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.59
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
PREP P48147 1/20 0.57
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL4377454 0.92 HPGD (0.74) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL4378943 0.91 HPGD (0.76) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL2829098 0.89 HPGD (0.67) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL24163013 0.89 HPGD (0.97) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL4378295 0.81 HPGD (0.70) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL4381856 0.80 HPGD (0.69) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL24163544 0.77 HPGD (0.79) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL4376257 0.77 CYP1A2 (0.72) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL4377859 0.76 CYP1A2 (0.71) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL3456248 0.76 HPGD (0.77) HPGDKMT2AMEN1RAB9ANPC1

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