SCHEMBL7245359

SCHEMBL7245359

Cc1noc(C)c1NC(=O)N(C)C1C2CCC1CN(CCOc1ccc(C#N)cc1)C2

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.42
HRH2 P25021 10/20 0.38
HRH1 P35367 10/20 0.38
HRH3 Q9Y5N1 7/20 0.38
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP2 P08253 1/20 0.36
ESR1 P03372 1/20 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
SCHEMBL7248411 0.85 IDH1 (0.35) HRH2HRH1
SCHEMBL7248335 0.84 HRH3 (0.39) HRH2HRH1HRH3ALOX15HSD17B10
SCHEMBL6095515 0.84 KCNA5 (0.45) KCNA5HRH2HRH1HRH3ALOX15
SCHEMBL7246185 0.81 KCNA5 (0.59) KCNA5HRH2HRH1HRH3MMP2
SCHEMBL7250880 0.80 HRH2 (0.46) KCNA5HRH2HRH1HRH3MMP2
SCHEMBL7245961 0.80 HRH2 (0.45) KCNA5HRH2HRH1HRH3MMP2
SCHEMBL7252155 0.79 KCNA5 (0.48) KCNA5HRH2HRH1HRH3
SCHEMBL7243245 0.79 HRH2 (0.44) KCNA5HRH2HRH1HRH3MMP2
SCHEMBL7243596 0.78 KCNA5 (0.45) KCNA5HRH2HRH1HRH3
SCHEMBL7252363 0.78 HRH2 (0.48) KCNA5HRH2HRH1HRH3

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