SCHEMBL6995893

SCHEMBL6995893

CN(C(N)=O)C(COc1ccc(C#N)cc1)CN1CC2CC(CN(CCC#N)C2)C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
MMP2 P08253 8/20 0.37
MMP3 P08254 7/20 0.37
KDM1A O60341 1/20 0.37
HRH2 P25021 2/20 0.37
HRH1 P35367 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6992363 0.87 KCNH2 (0.40) KCNH2MMP2MMP3KDM1AHRH2
SCHEMBL6990334 0.87 HRH2 (0.38) KCNH2MMP2MMP3KDM1AHRH2
SCHEMBL6994724 0.85 HRH2 (0.42) KCNH2KDM1AHRH2HRH1HRH3
SCHEMBL6987304 0.84 MCHR1 (0.46) KCNH2MMP2HRH3
SCHEMBL7089730 0.82 KCNA5 (0.36) KCNH2MMP2MMP3KDM1AGRIN1
SCHEMBL6995897 0.82 ALDH1A1 (0.36) KCNH2MMP2MMP3KDM1AHRH2
SCHEMBL7092543 0.79 MAPT (0.42) KCNH2KDM1AGRIN1GRIN2BALDH1A1
SCHEMBL6737490 0.74 KCNH2 (0.41) KCNH2MMP2MMP3KDM1AHRH2
SCHEMBL6740244 0.74 KCNH2 (0.52) KCNH2KDM1AALDH1A1HPGDKDM4E
SCHEMBL6733200 0.73 KDM1A (0.37) KCNH2MMP2MMP3KDM1AHRH2

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