SCHEMBL4011214

SCHEMBL4011214

CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)n1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)sc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCK P35557 6/20 0.49
CNR2 P34972 4/20 0.48
CNR1 P21554 2/20 0.48
ATAD2 Q6PL18 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL1621617 0.92 CNR2 (0.50) GCKCNR2CNR1LMNAALDH1A1
SCHEMBL775578 0.91 GCK (0.56) GCKCNR2CNR1ATAD2NPC1
SCHEMBL1621911 0.83 CNR2 (0.54) GCKCNR2CNR1ATAD2
SCHEMBL4013140 0.81 CNR2 (0.54) GCKCNR2CNR1ATAD2NPC1
SCHEMBL1620978 0.79 ADORA1 (0.59) GCKCNR2CNR1LMNAKDM4E
SCHEMBL1619549 0.77 TMIGD3 (0.53) GCKCNR2CNR1ATAD2LMNA
SCHEMBL1621078 0.77 CNR2 (0.49) GCKCNR2CNR1NPC1RAB9A
SCHEMBL1620080 0.77 CNR2 (0.54) GCKCNR2CNR1ATAD2NPC1
SCHEMBL1621081 0.76 GCK (0.57) GCKCNR2CNR1NPC1RAB9A
SCHEMBL1619362 0.76 GCK (0.49) GCKCNR2CNR1LMNAALDH1A1

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