SCHEMBL7477901

SCHEMBL7477901

CCNC(=O)N1CC2CC(CN(CN(CCOc3ccc(C#N)cc3)C(=O)O)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.39
MMP2 P08253 3/20 0.39
MMP3 P08254 1/20 0.39
CHRNA7 P36544 1/20 0.38
HRH2 P25021 6/20 0.38
HRH1 P35367 6/20 0.38
HRH3 Q9Y5N1 5/20 0.38
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7480678 0.92 MMP2 (0.38) KCNA5MMP2MMP3CHRNA7HRH2
SCHEMBL7256965 0.89 MMP2 (0.36) KCNA5MMP2MMP3CHRNA7HRH2
SCHEMBL6738151 0.85 KCNA5 (0.47) KCNA5CHRNA7HRH2HRH1HRH3
SCHEMBL7474774 0.83 KCNA5 (0.42) KCNA5MMP2MMP3HRH2HRH1
SCHEMBL7481488 0.81 HRH2 (0.37) KCNA5MMP2MMP3HRH2HRH1
SCHEMBL6738742 0.81 HRH2 (0.45) KCNA5CHRNA7HRH2HRH1HRH3
SCHEMBL6740378 0.80 HRH3 (0.42) KCNA5CHRNA7HRH2HRH1HRH3
SCHEMBL6737930 0.78 CHRNA7 (0.36) MMP2CHRNA7HRH2HRH1HRH3
SCHEMBL6739387 0.77 KCNH2 (0.50) ALDH1A1MAPT
SCHEMBL6734797 0.77 KCNH2 (0.50) ALDH1A1MAPT

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