SCHEMBL6202344

SCHEMBL6202344

N#Cc1ccc(OCCN2CC3CN(C(=O)O)CC3C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.57
HRH3 Q9Y5N1 10/20 0.53
HRH2 P25021 8/20 0.53
HRH1 P35367 8/20 0.53
MMP2 P08253 1/20 0.47
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL2968099 0.86 KCNA5 (0.54) KCNA5HRH3HRH2HRH1MMP2
SCHEMBL6094334 0.85 HRH2 (0.61) KCNA5HRH3HRH2HRH1
Oxalic Acid SCHEMBL4495391 0.84 HRH3 (0.56) KCNA5HRH3HRH2HRH1KDM4E
SCHEMBL6095505 0.83 GPR119 (0.51) KCNA5HRH3HRH2HRH1
SCHEMBL6199791 0.83 USP30 (0.43) KCNA5HRH3HRH2HRH1KDM4E
SCHEMBL6096450 0.83 HRH2 (0.53) KCNA5HRH3HRH2HRH1ALDH1A1
SCHEMBL6094006 0.83 HRH2 (0.49) KCNA5HRH3HRH2HRH1
SCHEMBL6093755 0.83 HRH3 (0.49) KCNA5HRH3HRH2HRH1
SCHEMBL6095474 0.83 HRH1 (0.50) KCNA5HRH3HRH2HRH1ALDH1A1
SCHEMBL6094934 0.82 KCNA5 (0.47) KCNA5HRH3HRH2HRH1ALDH1A1

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