SCHEMBL4064441

SCHEMBL4064441

O=C(NC1C2CC3CC(C2)CC1C3)c1c[nH]cn1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
LMNA P02545 4/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR2 P34972 5/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD11B1 P28845 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL7512969 0.76 SMYD3 (0.43) LMNASMN1; SMN2ALDH1A1L3MBTL1CNR1
SCHEMBL3455510 0.73 GRM5 (0.58) FAAHCNR2HSD11B1KMT2AMEN1
SCHEMBL4064442 0.73 PABPC1 (0.57) FAAHHPGDHTTCNR2ALDH1A1
SCHEMBL3685973 0.72 ALDH1A1 (0.50) HPGDSMN1; SMN2ALDH1A1HSD11B1KMT2A
SCHEMBL4657552 0.71 HSD11B1 (0.51) FAAHLMNAHPGDHTTSMN1; SMN2
SCHEMBL17396263 0.71 SMYD3 (0.52)
SCHEMBL19701413 0.70 SMYD3 (0.54)
SCHEMBL19701412 0.70 SMYD3 (0.54)
SCHEMBL13485764 0.69
SCHEMBL6084283 0.69 SMN1; SMN2 (0.52) FAAHHPGDSMN1; SMN2CNR2ALDH1A1

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