SCHEMBL13626571

SCHEMBL13626571

CC(C)c1noc([C@H]2CC[C@@H](C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
EPHX2 P34913 1/20 0.41
GPR119 Q8TDV5 8/20 0.41
CCR5 P51681 1/20 0.37
KCNH2 Q12809 1/20 0.37
CHRM4 P08173 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9963213 0.93 CNR2 (0.49) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL6975824 0.85 CNR2 (0.47) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL10094568 0.85 CNR2 (0.47) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL10094552 0.84 NPC1 (0.47) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL15931980 0.82 CNR2 (0.45) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL27875026 0.81 CNR2 (0.43) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL27875027 0.81 CNR2 (0.45) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL20969916 0.81 CNR2 (0.45) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL1673933 0.81 NR1H4 (0.47) CNR2HCRTR1HCRTR2EPHX2GPR119
SCHEMBL1128456 0.80 CNR2 (0.42) CNR2HCRTR1HCRTR2EPHX2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 WO disclosed