SCHEMBL7250046

SCHEMBL7250046

COc1ccc(CCN2CC3CCC(C2)C3N(C)CCCC(Oc2ccc(OC)c(OC)c2)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 9/20 0.43
HRH3 Q9Y5N1 3/20 0.41
SLC6A4 P31645 3/20 0.41
KMT2A Q03164 2/20 0.39
KCNH2 Q12809 2/20 0.37
FKBP1A P62942 1/20 0.36
FKBP4 Q02790 1/20 0.36
FKBP5 Q13451 1/20 0.36
HTR1A P08908 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35

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
SCHEMBL7245539 0.94 SLC6A4 (0.43) MCHR1HRH3SLC6A4KMT2AKCNH2
SCHEMBL6094346 0.88 MCHR1 (0.46) MCHR1HRH3SLC6A4KCNH2FKBP1A
SCHEMBL7245376 0.88 HRH3 (0.40) HRH3SLC6A4SIGMAR1
SCHEMBL7242841 0.85 SLC6A4 (0.39) MCHR1HRH3SLC6A4
SCHEMBL7242632 0.84 SLC6A4 (0.40) HRH3SLC6A4
SCHEMBL7242668 0.83 POLB (0.40) MCHR1HRH3SLC6A4
SCHEMBL7246406 0.83 HRH3 (0.37) HRH3SLC6A4KMT2AFKBP1AFKBP4
SCHEMBL5965830 0.83 MCHR1 (0.42) MCHR1HRH3SLC6A4FKBP1AFKBP4
SCHEMBL7028310 0.83 MCHR1 (0.43) MCHR1HRH3SLC6A4FKBP1AFKBP4
SCHEMBL7244465 0.82 HRH3 (0.37) HRH3SLC6A4KCNH2

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