SCHEMBL7093343

SCHEMBL7093343

CCCC(Oc1ccc(OC2CCCCO2)cc1)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.41
SLC6A4 P31645 2/20 0.41
GCGR P47871 1/20 0.35
TRPC6 Q9Y210 2/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL5965706 0.88 HRH3 (0.40) HRH3SLC6A4TRPC6GRIN1GRIN2B
SCHEMBL5965502 0.84 HRH3 (0.37) HRH3SLC6A4TRPC6GRIN1GRIN2B
SCHEMBL5965411 0.84 HRH3 (0.40) HRH3SLC6A4MEN1KMT2A
SCHEMBL6987525 0.83 HRH3 (0.37) HRH3SLC6A4TRPC6GRIN1GRIN2B
SCHEMBL3143065 0.81 HRH3 (0.52) HRH3TRPC6MEN1KMT2A
SCHEMBL7556966 0.81 HRH3 (0.36) HRH3SLC6A4GRIN1GRIN2BMEN1
SCHEMBL7513396 0.80 GRIN1 (0.38) HRH3SLC6A4GRIN1GRIN2BMEN1
SCHEMBL5965958 0.78 HRH3 (0.37) HRH3SLC6A4MEN1KMT2AKCNH2
SCHEMBL7250411 0.77 SLC6A4 (0.43) HRH3SLC6A4GRIN1GRIN2BMEN1
SCHEMBL5965701 0.77 GPR119 (0.42) HRH3SLC6A4MEN1KMT2A

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-1328526-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-07-23 EP disclosed
WO-2002032902-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-04-25 WO disclosed