SCHEMBL6316718

SCHEMBL6316718

N#Cc1ccc(OCC(O)CN2CC3CN(C(=O)O)CC(C2)C3=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 2/20 0.52
KCNH2 Q12809 1/20 0.50
ATM Q13315 1/20 0.46
MAPK1 P28482 3/20 0.46
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 1/20 0.45
ABCB1 P08183 4/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL6095179 0.90 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6317262 0.87 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6316723 0.87 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6619543 0.87 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6622630 0.87 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL2964698 0.86 KCNH2 (0.64) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6151398 0.86 KCNH2 (0.64) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6316328 0.86 KCNH2 (0.48) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6621017 0.83 KDM4E (0.49) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6317387 0.83 KCNH2 (0.49) MEN1KMT2AKDM4EALDH1A1KCNH2

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
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed