SCHEMBL4017108

SCHEMBL4017108

CC(C)(C)c1cc(N)no1.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 7/20 0.44
CNR1 P21554 6/20 0.44
GRM4 Q14833 1/20 0.39
MAPK13 O15264 1/20 0.36
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
ATM Q13315 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PI4KB Q9UBF8 1/20 0.33
KDR P35968 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL4017105 0.91 CNR2 (0.44) CNR2CNR1GRM4ALDH1A1LMNA
SCHEMBL1619416 0.88 GRM4 (0.47) CNR2CNR1GRM4ALDH1A1LMNA
SCHEMBL4010398 0.87 CNR2 (0.44) CNR2CNR1GRM4MAPK13MAPK14
SCHEMBL4017166 0.82 CNR2 (0.46) CNR2CNR1GRM4MAPK13MAPK14
SCHEMBL4010397 0.79 CNR2 (0.43) CNR2CNR1GRM4ALDH1A1LMNA
SCHEMBL1621011 0.78 CNR2 (0.70) CNR2CNR1MAPK14ALDH1A1GAA
SCHEMBL1464868 0.73 CNR2 (0.58) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1463565 0.69 CNR2 (0.46) CNR2CNR1ALDH1A1LMNAGAA
SCHEMBL1621385 0.69 FFAR2 (0.53) ALDH1A1LMNANPC1RAB9AMAPK1
SCHEMBL1619863 0.68 KMT2A (0.44) CNR2ALDH1A1LMNAGAANPC1

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