SCHEMBL7250836

SCHEMBL7250836

CCCCCCNC(=O)N1CC2CCC(C1)C2N(C)CCCC(Oc1ccc(OC)c(OC)c1)c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
SLC6A4 P31645 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
NAMPT P43490 2/20 0.34
TBXA2R P21731 5/20 0.34
GRIN2B Q13224 1/20 0.34
DRD3 P35462 1/20 0.34
POLB P06746 1/20 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
SCHEMBL7242668 0.92 POLB (0.40) SLC6A4HRH3GRIN2BPOLB
SCHEMBL7244465 0.87 HRH3 (0.37) SLC6A4HRH3
SCHEMBL5965546 0.84 MGLL (0.41) MGLLMMP1MMP3MMP7MMP9
SCHEMBL7246406 0.83 HRH3 (0.37) SLC6A4HRH3
SCHEMBL7242638 0.83 MGLL (0.39) MGLLSLC6A4HRH3TBXA2RDRD3
SCHEMBL7242632 0.82 SLC6A4 (0.40) SLC6A4HRH3
SCHEMBL7242841 0.80 SLC6A4 (0.39) SLC6A4HRH3GRIN2B
SCHEMBL7250046 0.80 MCHR1 (0.43) SLC6A4HRH3
SCHEMBL5965521 0.80 MGLL (0.41) MGLLSLC6A4HRH3TBXA2RDRD3
SCHEMBL7245376 0.79 HRH3 (0.40) SLC6A4HRH3DRD3

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