SCHEMBL4064442

SCHEMBL4064442

O=C(NC12CC3CC(CC(C3)C1)C2)c1c[nH]cn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.57
CNR2 P34972 7/20 0.49
FAAH O00519 2/20 0.49
USP2 O75604 1/20 0.47
POLB P06746 2/20 0.47
TSHR P16473 2/20 0.46
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL30634268 0.73 FAAH (0.61) PABPC1CNR2FAAHPOLBTSHR
SCHEMBL4064441 0.73 FAAH (0.47) CNR2FAAHEPHX2ALDH1A1HPGD
SCHEMBL3315499 0.73 PABPC1 (0.54) PABPC1CNR2FAAHPOLBTSHR
SCHEMBL2638308 0.73 PABPC1 (0.65) PABPC1CNR2FAAHTSHREPHX2
SCHEMBL11547768 0.72 CNR2 (0.50) PABPC1CNR2FAAHPOLBTSHR
SCHEMBL4657554 0.71 FAAH (0.58) PABPC1CNR2FAAHPOLBTSHR
SCHEMBL23917015 0.71 PABPC1 (0.51) PABPC1CNR2FAAHPOLBTSHR
SCHEMBL2913054 0.70 FAAH (0.71) CNR2FAAHPOLBTSHREPHX2
SCHEMBL7512969 0.69 SMYD3 (0.43) ALDH1A1CNR1
SCHEMBL13485764 0.69

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-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP disclosed
EP-2012775-A1 USE OF CBX CANNABINOID RECEPTOR MODULATORS AS POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-01-14 EP disclosed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed
WO-2007125049-A1 USE OF CBX CANNABINOID RECEPTOR MODULATORS AS POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO disclosed