SCHEMBL4010398

SCHEMBL4010398

CC(C)(C)c1cc(N)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)Cc2ccc(Cl)cc2)n1.CC(C)S(=O)(=O)C(C)(C)C(=O)Nc1cc(C(C)(C)C)on1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)Cc2ccc(Cl)cc2)sc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
CNR1 P21554 5/20 0.44
FFAR2 O15552 1/20 0.36
GAA P10253 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
KDR P35968 1/20 0.32
GRM4 Q14833 1/20 0.32
NPC1 O15118 4/20 0.32
RAB9A P51151 3/20 0.32
RORC P51449 1/20 0.32
HTT P42858 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4010397 0.93 CNR2 (0.43) CNR2CNR1FFAR2GAAKDM4E
SCHEMBL4017166 0.88 CNR2 (0.46) CNR2CNR1FFAR2GAAMAPK13
SCHEMBL4017108 0.87 CNR2 (0.44) CNR2CNR1GAAMAPK13MAPK14
SCHEMBL4017105 0.79 CNR2 (0.44) CNR2CNR1GAAKDM4EMAPT
SCHEMBL4163865 0.78 CNR2 (0.42) CNR2CNR1FFAR2KDM4ENPSR1
SCHEMBL4015637 0.76 CNR1 (0.36) CNR2CNR1FFAR2GAAKDM4E
SCHEMBL1619416 0.76 GRM4 (0.47) CNR2CNR1FFAR2GAAKDM4E
SCHEMBL1621385 0.75 FFAR2 (0.53) FFAR2KDM4ENPSR1MAPTNPC1
SCHEMBL1621011 0.74 CNR2 (0.70) CNR2CNR1GAAMAPK14NPSR1
SCHEMBL4011532 0.73 CNR2 (0.52) CNR2CNR1GAAMAPK13MAPK14

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 claimed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO claimed