SCHEMBL1619062

SCHEMBL1619062

CC(C)(C)N(CCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
KCNH2 Q12809 3/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
AR P10275 1/20 0.38
USP30 Q70CQ3 1/20 0.38
SLC6A9 P48067 2/20 0.35
GPR119 Q8TDV5 2/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
BLM P54132 1/20 0.34
KDM1A O60341 1/20 0.34
SSTR4 P31391 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL1619357 0.96 HRH3 (0.48) HRH3KCNH2KDM4EALDH1A1AR
SCHEMBL1619395 0.95 HRH3 (0.45) HRH3KCNH2KDM4EALDH1A1AR
SCHEMBL1619052 0.92 HRH3 (0.48) HRH3KCNH2KDM4EALDH1A1AR
SCHEMBL1619360 0.88 KCNH2 (0.39) HRH3KCNH2KDM4EALDH1A1POLB
SCHEMBL1620192 0.86 KDM4E (0.51) KDM4EALDH1A1POLBHTTBLM
SCHEMBL1618885 0.86 KCNH2 (0.41) HRH3KCNH2KDM4EALDH1A1POLB
SCHEMBL1619503 0.84 HRH3 (0.44) HRH3KCNH2KDM4EALDH1A1POLB
SCHEMBL1619584 0.82 KCNH2 (0.41) HRH3KCNH2KDM4EALDH1A1POLB
SCHEMBL3120178 0.82 USP30 (0.45) HRH3KCNH2ARUSP30SLC6A9
Trifluoroacetic Acid SCHEMBL3128408 0.82 KCNH2 (0.42) HRH3KCNH2KDM4EALDH1A1AR

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US claimed
US-7928225-B2 Oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2011-04-19 US disclosed
WO-2010138064-A1 AQUEOUS FILM COATING COMPOSITION ASTRAZENECA AB (SE) 2010-12-02 WO disclosed
US-20100303920-A1 Aqueous Film Coating Composition / 841 ASTRAZENECA AB (SE) 2010-12-02 US disclosed
WO-2010059119-A1 A COMBINATION OF TERT -BUTYL (2-{7- [2- (4-CYANO-2- F LUOROPHENOXY) ETHYL] -9-OXA-3, 7-DIAZABICYCLO [3.3.1] NON-3- YL } ETHYL) CARBAMATE AND CERTAIN ANTIARRHYTHMIC BENZOFURANS ASTRAZENECA AB (SE) 2010-05-27 WO disclosed
WO-2009105023-A1 PHARMACEUTICAL FORMULATION COMPRISING OXABISPIDINES / 236 ASTRAZENECA AB (SE) 2009-08-27 WO disclosed
WO-2009105023-A1 PHARMACEUTICAL FORMULATION COMPRISING OXABISPIDINES / 236 ASTRAZENECA AB (SE) 2009-08-27 WO disclosed