SCHEMBL7166109

SCHEMBL7166109

CCS(=O)(=O)CCCN1CC2CCOC(C1)CN(CCOc1ccc(C#N)cc1)C2

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 16/20 0.44
HRH2 P25021 16/20 0.44
HRH1 P35367 16/20 0.44
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL2967599 0.87 KCNH2 (0.53) HRH3HRH2HRH1KCNH2MEN1
SCHEMBL6989155 0.86 HRH3 (0.48) HRH3HRH2HRH1MEN1
SCHEMBL6094465 0.83 HRH3 (0.56) HRH3HRH2HRH1MEN1
SCHEMBL5965551 0.80 HRH3 (0.48) HRH3HRH2HRH1MEN1
SCHEMBL2970001 0.73 KCNH2 (0.68) HRH3HRH2HRH1KCNH2MEN1
SCHEMBL2966798 0.72 KCNH2 (0.53) HRH3HRH2HRH1KCNH2
SCHEMBL5965474 0.72 HRH2 (0.43) HRH3HRH2HRH1MEN1
SCHEMBL2966190 0.72 KCNH2 (0.49) HRH3HRH2HRH1KCNH2MEN1
SCHEMBL2963106 0.72 KCNH2 (0.41) HRH3HRH2HRH1KCNH2
SCHEMBL6989126 0.72 KCNH2 (0.54) HRH3HRH2HRH1KCNH2MEN1

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-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US claimed