SCHEMBL7089730

SCHEMBL7089730

CN(C(N)=O)C(COc1ccc(C#N)cc1)CN1CC2CC(C1)CN(c1nccs1)C2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.36
KDM1A O60341 1/20 0.36
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
KCNH2 Q12809 1/20 0.35
AOC3 Q16853 1/20 0.34
MMP2 P08253 4/20 0.34
MMP3 P08254 4/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7034791 0.83 KDM4E (0.47) GRIN1GRIN2BKCNH2ALDH1A1MEN1
SCHEMBL6995893 0.82 KCNH2 (0.40) KDM1AGRIN1GRIN2BKCNH2MMP2
SCHEMBL7033716 0.80 KCNH2 (0.39) KCNA5GRIN1GRIN2BKCNH2AOC3
SCHEMBL6992363 0.78 KCNH2 (0.40) KDM1AKCNH2MMP2MMP3MEN1
SCHEMBL6990334 0.78 HRH2 (0.38) KCNA5KDM1AGRIN1GRIN2BKCNH2
SCHEMBL6994724 0.77 HRH2 (0.42) KCNA5KDM1AKCNH2MEN1
SCHEMBL6987304 0.76 MCHR1 (0.46) KCNH2MMP2
SCHEMBL7035992 0.76 KCNA5 (0.48) KCNA5MEN1KMT2A
SCHEMBL7092543 0.74 MAPT (0.42) KDM1AGRIN1GRIN2BKCNH2ALDH1A1
SCHEMBL7032240 0.74 MEN1 (0.39) KCNH2ALDH1A1MEN1KMT2AKDM4E

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