SCHEMBL7609534

SCHEMBL7609534

O=CCN1CCN(CCCBr)CC1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL9129002 0.81 HRH3 (0.43) ACE2HRH3
SCHEMBL18712607 0.78 ACE2 (0.31) ACE2HRH3
SCHEMBL19616839 0.78 TSHR (0.35) ACE2HRH3
SCHEMBL17404736 0.78 GNAI3 (0.44)
SCHEMBL3973592 0.78 KEAP1 (0.48) ACE2
SCHEMBL4104385 0.78 SIGMAR1 (0.38) ACE2HRH3
SCHEMBL28374092 0.78
SCHEMBL27573102 0.75 GNAI3 (0.55)
SCHEMBL27573106 0.75 GNAI3 (0.55)
SCHEMBL27573100 0.75 GNAI3 (0.55)

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-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed