SCHEMBL5507425

SCHEMBL5507425

CN1CCCC1CCN1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 2/20 0.36
HCAR1 Q9BXC0 1/20 0.36
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5507418 0.78 HPGD (0.43) HPGDRECQLEPHX1KDM4EPKM
SCHEMBL24745481 0.74 HPGD (0.46) HPGDRECQLEPHX1KDM4EALDH1A1
SCHEMBL1795814 0.74 HPGD (0.46) HPGDRECQLEPHX1ALDH1A1MAPT
SCHEMBL16292818 0.74 HPGD (0.44) HPGDEPHX1KDM4EPKMGPR119
SCHEMBL8912276 0.74 GPR119 (0.40) HPGDRECQLEPHX1KDM4EPKM
SCHEMBL1479749 0.74 ACHE (0.48) HPGDRECQLEPHX1ALDH1A1GPR119
SCHEMBL5506815 0.74 RECQL (0.40) HPGDRECQLEPHX1GPR119
SCHEMBL4387707 0.74 TP53 (0.43) HPGDRECQLEPHX1KDM4EPKM
SCHEMBL2958093 0.73 HPGD (0.48) HPGDRECQLEPHX1KDM4EPKM
SCHEMBL23384349 0.73 HPGD (0.45) HPGDRECQLEPHX1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP disclosed