SCHEMBL6990939

SCHEMBL6990939

COc1ccc(OC(CCCN2CC3CC(CN(CCC#N)C3)C2)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
SLC6A4 P31645 5/20 0.42
AR P10275 1/20 0.34
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
HTR1A P08908 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
DRD3 P35462 1/20 0.34
MAPT P10636 1/20 0.33
MCHR1 Q99705 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 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
SCHEMBL6991661 0.89 HRH3 (0.41) HRH3SLC6A4HRH2HRH1KDM2B
SCHEMBL7028310 0.89 MCHR1 (0.43) HRH3SLC6A4HTR1AMAPTMCHR1
SCHEMBL6738560 0.89 HRH3 (0.42) HRH3SLC6A4ARHRH2HRH1
SCHEMBL6996607 0.89 HRH3 (0.43) HRH3SLC6A4HRH2HRH1DRD3
SCHEMBL7030839 0.89 HRH3 (0.41) HRH3SLC6A4ARHRH2HRH1
SCHEMBL6740792 0.89 SLC6A4 (0.41) HRH3SLC6A4HRH2HRH1HTR1A
SCHEMBL6993367 0.88 HRH3 (0.40) HRH3SLC6A4ARHRH2HRH1
SCHEMBL7034759 0.86 SLC6A4 (0.39) HRH3SLC6A4HRH2HRH1HTR1A
SCHEMBL6995417 0.86 SLC6A4 (0.39) HRH3SLC6A4HRH2HRH1HTR1A
SCHEMBL6997329 0.86 SLC6A4 (0.39) HRH3SLC6A4HRH2HRH1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed