SCHEMBL4010397

SCHEMBL4010397

CC(C)(C)c1cc(C(N)=O)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 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
CNR1 P21554 5/20 0.43
FFAR2 O15552 1/20 0.35
GAA P10253 2/20 0.33
GRM4 Q14833 2/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
RORC P51449 1/20 0.31
CSF1R P07333 1/20 0.31
FLT3 P36888 1/20 0.31
HTT P42858 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4010398 0.93 CNR2 (0.44) CNR2CNR1FFAR2GAAGRM4
SCHEMBL4017166 0.87 CNR2 (0.46) CNR2CNR1FFAR2GAAGRM4
SCHEMBL4017105 0.87 CNR2 (0.44) CNR2CNR1GAAGRM4MAPT
SCHEMBL4017108 0.79 CNR2 (0.44) CNR2CNR1GAAGRM4MAPT
SCHEMBL4163865 0.78 CNR2 (0.42) CNR2CNR1FFAR2MAPTKDM4E
SCHEMBL4015637 0.75 CNR1 (0.36) CNR2CNR1FFAR2GAAMAPT
SCHEMBL1619416 0.75 GRM4 (0.47) CNR2CNR1FFAR2GAAGRM4
SCHEMBL1621385 0.74 FFAR2 (0.53) FFAR2MAPTKDM4ENPSR1RORC
SCHEMBL1621011 0.74 CNR2 (0.70) CNR2CNR1GAAMAPTNPSR1
SCHEMBL3963555 0.73 CNR2 (0.55) CNR2CNR1GAAMAPTKDM4E

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