SCHEMBL2834825

SCHEMBL2834825

COc1ccc(C(=O)CCC(=O)N2CCC(N3CCCC3)CC2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.63
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL4377742 0.92 HRH3 (0.66) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL4377220 0.91 HRH3 (0.65) HRH3KMT2AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL4378100 0.90 HRH3 (0.66) HRH3KMT2AMEN1ALDH1A1MAPT
SCHEMBL5233881 0.88 HRH3 (0.59) HRH3KMT2AMEN1ALDH1A1TDP1
SCHEMBL5235270 0.88 HRH3 (0.59) HRH3KMT2AMEN1ALDH1A1TDP1
SCHEMBL5233892 0.88 HRH3 (0.59) HRH3KMT2AMEN1ALDH1A1TDP1
SCHEMBL4375706 0.82 HRH3 (0.62) HRH3ALDH1A1KDM4EL3MBTL1POLB
SCHEMBL4379469 0.81 HRH3 (0.64) HRH3KMT2AALDH1A1KDM4E
SCHEMBL4388156 0.81 HRH3 (0.64) HRH3KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL14190992 0.81 HRH3 (0.61) HRH3KMT2AALDH1A1KDM4EL3MBTL1

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