SCHEMBL5965656

SCHEMBL5965656

CCS(=O)(=O)CCCN1CC2CCC(C1)N2C[C@@H](COc1ccc(C#N)cc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
HRH2 P25021 10/20 0.41
HRH1 P35367 10/20 0.41
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 7/20 0.38
MEN1 O00255 3/20 0.38
SIGMAR1 Q99720 2/20 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
SCHEMBL5965633 0.86 KCNH2 (0.49) KCNH2HRH2HRH1POLBHRH3
SCHEMBL5965476 0.86 KCNH2 (0.41) KCNH2HRH2HRH1POLBMEN1
SCHEMBL5965487 0.85 HRH2 (0.44) KCNH2HRH2HRH1POLBHRH3
SCHEMBL5965389 0.85 SIGMAR1 (0.45) KCNH2HRH1HRH3MEN1SIGMAR1
SCHEMBL5965947 0.84 KCNH2 (0.40) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL5965813 0.81 KCNH2 (0.38) KCNH2HRH2HRH1POLBMEN1
SCHEMBL5965436 0.81 HRH3 (0.45) HRH1HRH3MEN1
SCHEMBL5965524 0.81 KCNH2 (0.39) KCNH2HRH2HRH1POLBHRH3
SCHEMBL5965974 0.80 CHRNA7 (0.39) KCNH2HRH2HRH1POLBHRH3
SCHEMBL5965704 0.80 MMP2 (0.40) KCNH2HRH2HRH1HRH3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012074-B2 3,8-Diazabicyclo[3.2.1]octanes and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-03-14 US disclosed