SCHEMBL7769746

SCHEMBL7769746

Nc1cc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)nc(N)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.69
ALDH1A1 P00352 6/20 0.69
MAPT P10636 3/20 0.69
TSHR P16473 3/20 0.69
HSD17B10 Q99714 2/20 0.69
RECQL P46063 1/20 0.69
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.53
MC4R P32245 1/20 0.49
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL661215 0.84 KMT2A (0.60) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7774160 0.82 KDM4E (0.70) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL27979632 0.82 ALDH1A1 (0.82) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL7774512 0.78 MAPT (0.68) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL1724321 0.78 PI4KB (0.60) ALDH1A1MAPTTSHRLMNAHTT
SCHEMBL4379063 0.77 KDM4E (0.82) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL14218031 0.74 ALDH1A1 (0.70) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL17940608 0.74 ALDH1A1 (0.73) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL1374171 0.74 ALDH1A1 (0.69) KDM4EALDH1A1MAPTTSHRHSD17B10
SCHEMBL4116414 0.73 ALDH1A1 (0.52) KDM4EALDH1A1MAPTTSHRHSD17B10

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-0574906-B1 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO (JP) 2001-08-22 EP disclosed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US disclosed
EP-0574906-A2 Piperazine and homopiperazine derivatives, pharmaceutical compositions containing them and process for preparing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-12-22 EP disclosed