SCHEMBL4015482

SCHEMBL4015482

CC(C)(C(=O)Nc1ccc2ccccc2n1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)CC1CCOCC1.CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)CC1CCOCC1.CC(C)(C)c1ccc(NC(=O)C(C)(C)S(=O)(=O)CC2CCOCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
CNR1 P21554 4/20 0.43
MAPT P10636 4/20 0.37
TRPV1 Q8NER1 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
POLB P06746 2/20 0.36
GCK P35557 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NOD2 Q9HC29 1/20 0.36
KDM4E B2RXH2 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCNK O75909 1/20 0.35
CDK9 P50750 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4016147 0.95 MAPT (0.41) CNR2CNR1MAPTKMT2AMEN1
SCHEMBL4011979 0.83 TRPV1 (0.52) CNR2CNR1MAPTTRPV1POLB
SCHEMBL4009816 0.82 MAPT (0.54) CNR2CNR1MAPTKMT2AMEN1
SCHEMBL1619354 0.80 KMT2A (0.52) CNR2CNR1MAPTKMT2AMEN1
SCHEMBL1619672 0.78 CNR2 (0.56) CNR2CNR1MAPTTRPV1POLB
SCHEMBL1621081 0.75 GCK (0.57) CNR2CNR1MAPTKMT2AMEN1
SCHEMBL1620082 0.75 CNR2 (0.52) CNR2CNR1MAPTKMT2ASMN1; SMN2
SCHEMBL1621441 0.74 GCK (0.58) CNR2CNR1MAPTKMT2AMEN1
SCHEMBL4011458 0.73 GCK (0.51) CNR2CNR1MAPTKMT2AMEN1
SCHEMBL1619362 0.72 GCK (0.49) CNR2CNR1MAPTKMT2AMEN1

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