SCHEMBL7091034

SCHEMBL7091034

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

nearest known ligand 0.66

Predicted protein targets (top 20)

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
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.41
AGER Q15109 1/20 0.41
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 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

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
SCHEMBL6994678 0.91 KCNH2 (0.49) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6619543 0.87 MEN1 (0.53) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6622630 0.87 MEN1 (0.53) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7474790 0.86 KCNH2 (0.47) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6741300 0.86 KDM4E (0.45) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL7031260 0.86 KCNH2 (0.58) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6733219 0.86 KCNH2 (0.49) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6992337 0.86 KCNH2 (0.50) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6992335 0.86 KCNH2 (0.50) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL6993770 0.84 KDM4E (0.60) 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-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 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