SCHEMBL7769859

SCHEMBL7769859

OC(COc1ccc2ccccc2c1)CN1CCCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
KDM4E B2RXH2 5/20 0.59
NPSR1 Q6W5P4 2/20 0.59
HTT P42858 2/20 0.59
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.57
POLB P06746 1/20 0.54
ADORA2A P29274 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
ATM Q13315 1/20 0.51
CYP2D6 P10635 2/20 0.51
TSHR P16473 1/20 0.51
HIF1A Q16665 1/20 0.51
UBE2N P61088 1/20 0.50
HTR7 P34969 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL9330581 0.83 SMN1; SMN2 (0.74) MAPTKDM4ENPSR1HSD17B10SMN1; SMN2
SCHEMBL31302688 0.83 SMN1; SMN2 (0.74) MAPTKDM4ENPSR1HSD17B10SMN1; SMN2
SCHEMBL4580492 0.82 KDM4E (0.82) MAPTKDM4ENPSR1HTTUSP2
SCHEMBL8892044 0.79 CASP1 (0.50) MAPT
SCHEMBL8891364 0.78 CASP1 (0.49) MAPTKDM4ENPSR1HTTUSP2
SCHEMBL16371128 0.77 KDM4E (0.77) MAPTKDM4ENPSR1HTTUSP2
SCHEMBL24355418 0.76 KDM4E (0.97) MAPTKDM4ENPSR1HTTUSP2
SCHEMBL7776116 0.75 NPC1 (0.70) MAPTKDM4EUSP2HSD17B10POLB
SCHEMBL4753148 0.74 KDM4E (0.70) MAPTKDM4ENPSR1HTTHSD17B10
SCHEMBL16392457 0.74 SMN1; SMN2 (0.97) MAPTKDM4EUSP2MAPK1SMN1; SMN2

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 2 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 claimed
US-5380724-A Inhibitors of lipid peroxidation GYOGYSZERKUTATO INTEZET KFT (HU) 1995-01-10 US claimed