SCHEMBL13257201

SCHEMBL13257201

CC(C)C1CCCCN1CC1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
GBA1 P04062 1/20 0.39
HSD11B1 P28845 1/20 0.36
KDM4E B2RXH2 3/20 0.36
NR1H2 P55055 1/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
PIK3CD O00329 1/20 0.31
SLC6A9 P48067 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL13015720 0.88 GBA1 (0.45) CNR1CNR2GBA1HSD11B1KDM4E
SCHEMBL24926382 0.82 HRH3 (0.34) CNR1CNR2GBA1NR1H2CHRM5
SCHEMBL22852538 0.82 HRH3 (0.34) CNR1CNR2GBA1NR1H2CHRM5
SCHEMBL16254882 0.77 GBA1 (0.41) CNR1CNR2GBA1HSD11B1KDM4E
SCHEMBL27126557 0.75 GBA1 (0.40) CNR1CNR2GBA1HSD11B1KDM4E
SCHEMBL16253011 0.73 CNR2 (0.44) CNR1CNR2GBA1HSD11B1KDM4E
SCHEMBL27282041 0.72 L3MBTL1 (0.36) SLC6A9
SCHEMBL12595521 0.72 L3MBTL1 (0.36) SLC6A9
SCHEMBL16480437 0.72 KCNH2 (0.44) CNR1CNR2GBA1HSD11B1
SCHEMBL25685818 0.72 NR1H2 (0.36) NR1H2

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-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO disclosed