SCHEMBL6199933

SCHEMBL6199933

Cc1ccc(S(=O)(=O)NC(=O)N2CC3CN(CCCS(=O)(=O)c4ccc(C#N)cc4)CC3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
P2RY12 Q9H244 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.39
AKR1C3 P42330 1/20 0.39
KDM1A O60341 6/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5965702 0.87 LMNA (0.43) HRH2HRH1LMNAPOLBALDH1A1
SCHEMBL6096140 0.85 KCNA5 (0.52) HRH2HRH1LMNAPOLBP2RY12
SCHEMBL6095508 0.84 HRH2 (0.41) HRH2HRH1HRH3CYP3A4
SCHEMBL6093925 0.83 HRH2 (0.41) HRH2HRH1ALDH1A1HRH3
SCHEMBL7245277 0.83 POLB (0.45) HRH2HRH1LMNAPOLBALDH1A1
SCHEMBL6096585 0.82 MGLL (0.42) HRH2HRH1HRH3CYP2C9
SCHEMBL6095400 0.81 HTR7 (0.42) HRH2HRH1ALDH1A1HRH3
SCHEMBL6093832 0.81 HRH2 (0.41) HRH2HRH1KDM1AHRH3
SCHEMBL6093051 0.81 HRH1 (0.49) HRH2HRH1POLBALDH1A1HRH3
SCHEMBL6095012 0.80 ALDH1A1 (0.53) HRH2HRH1LMNAPOLBP2RY12

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
EP-1360187-B1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
EP-1360187-A1 3,7-DIAZABICYCLO(3.3.0)OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-11-12 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 WO disclosed