SCHEMBL6319658

SCHEMBL6319658

CC12CNCC(C)(CN(Cc3ccccc3)C1)C2O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
TSHR P16473 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FUCA1 P04066 2/20 0.45
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 2/20 0.42
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL6316162 0.89 GAA (0.57) GAATSHRMEN1KMT2AFUCA1
SCHEMBL29598556 0.82 GAA (0.61) GAATSHRMEN1KMT2ASIGMAR1
SCHEMBL6324844 0.79 GAA (0.51) GAATSHRMEN1KMT2AFUCA1
SCHEMBL23186699 0.78 GAA (0.49) GAATSHRMEN1KMT2AFUCA1
SCHEMBL14016409 0.77 SIGMAR1 (0.55) GAATSHRMEN1KMT2ASIGMAR1
SCHEMBL15985246 0.75 CYP2D6 (0.60) GAATSHRMEN1KMT2ASIGMAR1
SCHEMBL11707747 0.75 GAA (0.61) GAATSHRMEN1KMT2ASIGMAR1
SCHEMBL20411117 0.74 GAA (0.46) GAATSHRMEN1KMT2AFUCA1
SCHEMBL20402656 0.74 GAA (0.46) GAATSHRMEN1KMT2AFUCA1
SCHEMBL20411087 0.74 GAA (0.46) GAATSHRMEN1KMT2AFUCA1

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
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed