SCHEMBL7250306

SCHEMBL7250306

CCCCS(=O)(=O)N1CC2CCC(C1)C2N(C)CCCNc1ccc(C#N)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.37
CETP P11597 1/20 0.35
EPHX2 P34913 2/20 0.35
ELOVL6 Q9H5J4 1/20 0.35
PGR P06401 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 2/20 0.32
KDM1A O60341 2/20 0.32
RECQL P46063 1/20 0.32
OPRK1 P41145 1/20 0.32
TBXA2R P21731 1/20 0.32
HSD11B1 P28845 1/20 0.32
CCR6 P51684 1/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL7251803 0.83 HRH3 (0.41) HRH3MEN1KMT2ACYP2D6OPRK1
SCHEMBL6097389 0.82 HRH3 (0.45) HRH3CETPEPHX2ELOVL6MEN1
SCHEMBL7244146 0.81 KDM1A (0.37) HRH3EPHX2PGRCYP2D6KDM1A
SCHEMBL7251663 0.80 CYP2D6 (0.39) MEN1CYP2D6KDM1AOPRK1
SCHEMBL7245322 0.80 MGLL (0.41) PGRTBXA2R
SCHEMBL5965660 0.79 HRH3 (0.39) HRH3CETPEPHX2ELOVL6PGR
SCHEMBL7251058 0.79 GRIN2B (0.37) CYP2D6KDM1AOPRK1
SCHEMBL7244084 0.79 HRH3 (0.43) HRH3MEN1KMT2ACYP2D6OPRK1
SCHEMBL7248955 0.77 HRH3 (0.37) HRH3MEN1CYP2D6OPRK1
SCHEMBL7248514 0.77 DRD2 (0.44) HRH3CYP2D6OPRK1

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