SCHEMBL2833221

SCHEMBL2833221

COc1ccc(CCC(=O)N2CCC(N3CCCC3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.59
KMT2A Q03164 7/20 0.58
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 5/20 0.56
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MMP2 P08253 1/20 0.49
ANPEP P15144 1/20 0.49
HTT P42858 1/20 0.49
OPRD1 P41143 1/20 0.48
RAB9A P51151 1/20 0.48
GFER P55789 1/20 0.48
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 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
SCHEMBL2832797 0.93 KMT2A (0.52) L3MBTL3KMT2AALDH1A1TSHRMEN1
SCHEMBL4377238 0.91 KMT2A (0.71) L3MBTL3KMT2AALDH1A1TSHRMEN1
SCHEMBL4375187 0.90 KMT2A (0.73) L3MBTL3KMT2AALDH1A1TSHRMEN1
SCHEMBL2830376 0.87 KMT2A (0.59) L3MBTL3KMT2AALDH1A1TSHRMEN1
SCHEMBL5456813 0.87 ALDH1A1 (0.64) KMT2AALDH1A1MEN1KDM4EATM
SCHEMBL2833225 0.84 KMT2A (0.80) L3MBTL3KMT2AALDH1A1TSHRMEN1
SCHEMBL4375522 0.84 KMT2A (0.62) KMT2AALDH1A1TSHRMEN1KDM4E
SCHEMBL4384250 0.83 KMT2A (0.64) KMT2AALDH1A1TSHRMEN1L3MBTL1
Hydrochloric Acid SCHEMBL4378950 0.83 KMT2A (0.61) KMT2AALDH1A1TSHRMEN1KDM4E
SCHEMBL2835539 0.83 KMT2A (0.60) L3MBTL3KMT2AALDH1A1TSHRMEN1

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