SCHEMBL2830376

SCHEMBL2830376

COc1cc(CCC(=O)N2CCC(N3CCCC3)CC2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
KDM4E B2RXH2 4/20 0.57
POLB P06746 1/20 0.57
SIGMAR1 Q99720 2/20 0.57
MEN1 O00255 3/20 0.55
L3MBTL3 Q96JM7 1/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 1/20 0.54
HPGD P15428 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 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
SCHEMBL4377262 0.91 KMT2A (0.66) KMT2AKDM4EPOLBSIGMAR1MEN1
SCHEMBL4382131 0.89 KMT2A (0.68) KMT2AKDM4EPOLBSIGMAR1MEN1
SCHEMBL2833221 0.87 L3MBTL3 (0.59) KMT2AKDM4EMEN1L3MBTL3ALDH1A1
SCHEMBL2833225 0.81 KMT2A (0.80) KMT2AKDM4EMEN1L3MBTL3ALDH1A1
SCHEMBL2832797 0.81 KMT2A (0.52) KMT2AKDM4EMEN1L3MBTL3ALDH1A1
SCHEMBL2835539 0.79 KMT2A (0.60) KMT2AKDM4EPOLBSIGMAR1MEN1
SCHEMBL13090086 0.79 ALDH1A1 (0.69) KMT2AKDM4EPOLBL3MBTL3ALDH1A1
SCHEMBL10771524 0.79 KDM4E (0.63) KMT2AKDM4EPOLBMEN1ALDH1A1
SCHEMBL2830939 0.79 KMT2A (0.58) KMT2AKDM4EPOLBSIGMAR1MEN1
SCHEMBL4377238 0.78 KMT2A (0.71) KMT2AKDM4EMEN1L3MBTL3ALDH1A1

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