SCHEMBL4669302

SCHEMBL4669302

[CH2]CN1CC2CN(Cc3ccccc3)CC(C1)O2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.50
SIGMAR1 Q99720 2/20 0.47
DRD4 P21917 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
GBA1 P04062 1/20 0.43
HTR1A P08908 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL12187772 0.84 FUCA1 (0.55) FUCA1SIGMAR1DRD4S1PR1S1PR5
SCHEMBL60509 0.84 FUCA1 (0.55) FUCA1SIGMAR1DRD4S1PR1S1PR5
SCHEMBL5540770 0.83 FUCA1 (0.50) FUCA1SIGMAR1DRD4S1PR1S1PR5
Hydrochloric Acid SCHEMBL11836687 0.82 FUCA1 (0.53) FUCA1SIGMAR1DRD4S1PR1S1PR5
SCHEMBL5316198 0.81 DRD4 (0.50) FUCA1SIGMAR1DRD4S1PR1S1PR5
SCHEMBL3315165 0.80 FUCA1 (0.51) FUCA1SIGMAR1DRD4S1PR1S1PR5
SCHEMBL1618174 0.79 FUCA1 (0.50) FUCA1SIGMAR1DRD4S1PR1S1PR5
SCHEMBL2968146 0.79 S1PR5 (0.51) FUCA1S1PR1S1PR5GBA1ALDH1A1
Hydrochloric Acid SCHEMBL1619305 0.78 FUCA1 (0.49) FUCA1SIGMAR1DRD4S1PR1S1PR5
Hydrochloric Acid SCHEMBL2966846 0.78 S1PR5 (0.50) FUCA1S1PR1S1PR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893619-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTMIAS AstraZeneca AB (SE) 2008-03-05 EP claimed
WO-2006135316-A1 New oxabispidine compounds for the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-12-21 WO claimed
EP-1765832-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123748-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 WO disclosed