SCHEMBL2298158

SCHEMBL2298158

COc1ccccc1S(=O)(=O)N(CC(=O)O)C1(c2cc(Cl)cc(-c3cccc(Cl)c3)c2)CCC1

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 16/20 0.88
DAGLB Q8NCG7 4/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
KCNH2 Q12809 2/20 0.53
NR1I2 O75469 1/20 0.53
SLC6A9 P48067 1/20 0.38
ACLY P53396 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.36

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
SCHEMBL2337122 0.94 DAGLA (1.00) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2301073 0.85 DAGLA (0.70) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2302253 0.85 DAGLA (0.88) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2300570 0.82 DAGLA (1.00) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL6864007 0.80 DAGLA (0.82) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2297486 0.80 DAGLA (0.78) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2299131 0.80 DAGLA (1.00) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2343368 0.79 DAGLA (1.00) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2297110 0.78 DAGLA (1.00) DAGLADAGLBCYP3A4CYP2D6CYP2C9
SCHEMBL2300879 0.76 DAGLA (0.73) DAGLADAGLBCYP3A4CYP2D6CYP2C9

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-2536694-A1 GLYCINE SULFONAMIDES FOR USE AS INHIBITORS OF DIACYLGLYCEROL LIPASE Bristol-Myers Squibb Company (US) 2012-12-26 EP disclosed
WO-2011103055-A1 GLYCINE SULFONAMIDES FOR USE AS INHIBITORS OF DIACYLGLYCEROL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-25 WO disclosed