SCHEMBL6322140

SCHEMBL6322140

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.40
GRIN2B Q13224 5/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM1A O60341 1/20 0.39
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KCNA5 P22460 1/20 0.38
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
AGER Q15109 1/20 0.36

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
SCHEMBL6743187 0.91 GRIN1 (0.40) GRIN1GRIN2BMEN1KMT2AKDM1A
SCHEMBL6622630 0.88 MEN1 (0.53) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6619543 0.88 MEN1 (0.53) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6317973 0.87 GRIN1 (0.40) GRIN1GRIN2BMEN1KMT2AKDM1A
SCHEMBL6738989 0.87 DPP4 (0.41) GRIN1GRIN2BMEN1KMT2AKDM1A
SCHEMBL6614408 0.86 GPR119 (0.46) GRIN1GRIN2BKDM1AKCNH2
SCHEMBL6733487 0.86 CHRNA7 (0.40) GRIN1GRIN2BKDM1AKCNH2MMP2
SCHEMBL6738018 0.85 KCNH2 (0.39) GRIN1GRIN2BMEN1KMT2AKDM1A
SCHEMBL6997502 0.85 KCNH2 (0.46) GRIN1GRIN2BMEN1KMT2AKCNH2
SCHEMBL6995039 0.83 GRIN1 (0.42) GRIN1GRIN2BMEN1KMT2AKDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP claimed
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