SCHEMBL6318216

SCHEMBL6318216

CC(C)(C)OC(=O)N1CC2(C)CN(Cc3ccccc3)CC(C)(C1)C2O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
STS P08842 1/20 0.44
RORC P51449 3/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL18668633 0.85 RORC (0.46) OPRD1OPRK1GPR119STSRORC
SCHEMBL24276430 0.85 RORC (0.46) OPRD1OPRK1GPR119STSRORC
SCHEMBL29597428 0.85 RORC (0.46) OPRD1OPRK1GPR119STSRORC
SCHEMBL18668635 0.85 RORC (0.46) OPRD1OPRK1GPR119STSRORC
SCHEMBL19173661 0.85 RORC (0.53) GAAOPRD1OPRK1GPR119STS
SCHEMBL6324844 0.84 GAA (0.51) GAAKMT2AMEN1TSHRALDH1A1
SCHEMBL6316162 0.83 GAA (0.57) GAAKMT2AMEN1TSHRTP53
SCHEMBL30360504 0.82 GPR119 (0.47) GAAOPRD1OPRK1GPR119STS
SCHEMBL22722159 0.82 GPR119 (0.47) GAAOPRD1OPRK1GPR119STS
SCHEMBL29344019 0.80 GAA (0.47) GAAOPRD1OPRK1KMT2AMEN1

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