SCHEMBL7248462

SCHEMBL7248462

CN(CC1CC1)C1C2CCC1CN(CCCS(=O)(=O)c1ccc(C#N)cc1)C2

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.39
HTR7 P34969 1/20 0.38
CYP19A1 P11511 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.37
HRH2 P25021 5/20 0.36
HRH1 P35367 5/20 0.36
SIGMAR1 Q99720 2/20 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
SCHEMBL7242820 0.85 HRH3 (0.40) HRH3HTR7CYP19A1HRH2HRH1
SCHEMBL7243888 0.83 HTR7 (0.40) HRH3HTR7CYP19A1TAS2R14HRH2
SCHEMBL7246880 0.83 HRH2 (0.37) HRH3HTR7CYP19A1HRH2HRH1
SCHEMBL7248526 0.83 NSD2 (0.40) HRH3HTR7CYP19A1HRH2HRH1
SCHEMBL7246992 0.82 HRH2 (0.38) HRH3HTR7CYP19A1TAS2R14HRH2
SCHEMBL7243646 0.82 HRH3 (0.38) HRH3HTR7CYP19A1HRH2HRH1
SCHEMBL7244738 0.81 HTR7 (0.41) HRH3HTR7CYP19A1HRH2HRH1
SCHEMBL6095376 0.81 HRH3 (0.46) HRH3HTR7CYP19A1HRH2HRH1
SCHEMBL7245472 0.81 KDM1A (0.37) HRH3HTR7CYP19A1HRH2HRH1
SCHEMBL7243503 0.80 HRH3 (0.42) HRH3HRH2HRH1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 WO disclosed