SCHEMBL4015146

SCHEMBL4015146

Cc1nc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)sc1C(C)(C)C.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.46
CNR1 P21554 1/20 0.42
MAPK14 Q16539 5/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
BRAF P15056 4/20 0.34
MAPT P10636 2/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34

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
SCHEMBL1621078 0.87 CNR2 (0.49) CNR2CNR1LMNAALDH1A1GAA
SCHEMBL766896 0.87 CNR2 (0.57) CNR2CNR1MAPK14LMNAMAPT
SCHEMBL1619502 0.78 CNR2 (0.58) CNR2MAPK14LMNAMAPTMAPK13
SCHEMBL1621077 0.77 CNR2 (0.57) CNR2MAPK14LMNAMAPTMAPK13
SCHEMBL3962960 0.77 CNR2 (0.51) CNR2CNR1MAPK14LMNAALDH1A1
SCHEMBL4014179 0.76 CNR2 (0.49) CNR2MAPK14LMNAALDH1A1MAPT
SCHEMBL4017725 0.73 RAB9A (0.46) CNR2LMNAALDH1A1MAPT
SCHEMBL12746844 0.73 CNR2 (0.48) CNR2CNR1MAPK14LMNAMAPT
SCHEMBL1620080 0.73 CNR2 (0.54) CNR2CNR1LMNAALDH1A1MAPT
SCHEMBL774473 0.73 CNR2 (0.52) CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed