SCHEMBL7480678

SCHEMBL7480678

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.38
MMP3 P08254 1/20 0.38
CHRNA7 P36544 1/20 0.38
HRH2 P25021 6/20 0.37
HRH1 P35367 6/20 0.37
HRH3 Q9Y5N1 5/20 0.37
KCNA5 P22460 2/20 0.37
MGLL Q99685 1/20 0.36
PGR P06401 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
SCHEMBL7477901 0.92 KCNA5 (0.39) MMP2MMP3CHRNA7HRH2HRH1
SCHEMBL7256965 0.91 MMP2 (0.36) MMP2MMP3CHRNA7HRH2HRH1
SCHEMBL6738151 0.84 KCNA5 (0.47) CHRNA7HRH2HRH1HRH3KCNA5
SCHEMBL6738742 0.81 HRH2 (0.45) CHRNA7HRH2HRH1HRH3KCNA5
SCHEMBL6740378 0.80 HRH3 (0.42) CHRNA7HRH2HRH1HRH3KCNA5
SCHEMBL6739387 0.77 KCNH2 (0.50)
SCHEMBL6742834 0.77 KCNH2 (0.50)
SCHEMBL6734797 0.77 KCNH2 (0.50)
SCHEMBL6742582 0.76 CHRNA7 (0.40) MMP2MMP3CHRNA7HRH2HRH1
SCHEMBL6733487 0.76 CHRNA7 (0.40) MMP2MMP3CHRNA7HRH2HRH1

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