SCHEMBL6998323

SCHEMBL6998323

N#Cc1ccc(OCC(O)CN2CC3C[N]CC(C3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
AGER Q15109 1/20 0.51
KCNH2 Q12809 1/20 0.50
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.47
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
GLA P06280 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7032100 0.91 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL6993770 0.91 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL7032087 0.91 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL6993777 0.91 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL7035170 0.86 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL6738943 0.86 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL7033470 0.86 KCNH2 (0.55) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL6623120 0.86 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1AGER
SCHEMBL6619551 0.86 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1AGER
Hydrochloric Acid SCHEMBL6621037 0.85 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1AGER

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-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed