SCHEMBL7474790

SCHEMBL7474790

N#Cc1ccc(OCC(O)CN2CC3CC(C2)CN(C(=O)NCC(=O)O)C3)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 3/20 0.41
POLB P06746 2/20 0.41
AGER Q15109 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAPT P10636 2/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6742834 0.89 KCNH2 (0.50) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6734797 0.89 KCNH2 (0.50) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6739436 0.89 KCNH2 (0.50) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6739387 0.89 KCNH2 (0.50) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6733219 0.88 KCNH2 (0.49) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6735514 0.88 KCNH2 (0.48) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6741300 0.88 KDM4E (0.45) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6739623 0.88 KCNH2 (0.48) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6739146 0.88 KCNH2 (0.46) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6742664 0.88 MEN1 (0.49) KCNH2MEN1KMT2AKDM4EALDH1A1

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-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed