SCHEMBL4013140

SCHEMBL4013140

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)n1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.54
CNR1 P21554 9/20 0.54
GCK P35557 1/20 0.48
ATAD2 Q6PL18 1/20 0.42
EGFR P00533 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL775578 0.90 GCK (0.56) CNR2CNR1GCKATAD2SMN1; SMN2
SCHEMBL775524 0.89 CNR2 (0.62) CNR2CNR1EGFRSMN1; SMN2NPC1
SCHEMBL4011827 0.88 CNR2 (0.52) CNR2CNR1GCKATAD2EGFR
SCHEMBL1619534 0.83 CNR2 (0.55) CNR2CNR1EGFRSMN1; SMN2NPC1
SCHEMBL1620815 0.83 CNR2 (0.55) CNR2CNR1EGFRSMN1; SMN2NPC1
SCHEMBL4163893 0.83 CNR2 (0.58) CNR2CNR1EGFRSMN1; SMN2NPC1
SCHEMBL1621911 0.82 CNR2 (0.54) CNR2CNR1GCKATAD2
SCHEMBL4011214 0.81 GCK (0.49) CNR2CNR1GCKATAD2SMN1; SMN2
SCHEMBL1619580 0.81 CNR2 (0.53) CNR2CNR1EGFRSMN1; SMN2NPC1
SCHEMBL10216975 0.80 CNR2 (0.70) CNR2CNR1EGFR

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