SCHEMBL4427429

SCHEMBL4427429

CC(C)(C)OC(=O)N(CCN(C(=O)O)c1ccc(N2CCc3cc(NS(=O)(=O)c4cc(Cl)cc(Cl)c4)ccc32)nn1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.37
TRIM24 O15164 3/20 0.36
GPR119 Q8TDV5 7/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
F2 P00734 2/20 0.35
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
ADRB3 P13945 3/20 0.35
NR3C1 P04150 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
SCHEMBL3300138 0.96 HTR6 (0.38) HTR6TRIM24GPR119MEN1KMT2A
SCHEMBL13390149 0.90 GPR119 (0.38) HTR6TRIM24GPR119MEN1KMT2A
SCHEMBL4437965 0.82 NR1H2 (0.38) GPR119
SCHEMBL10318655 0.81 F2 (0.36) HTR6F2
SCHEMBL4553688 0.81 GPR119 (0.35) GPR119MEN1KMT2A
SCHEMBL13390156 0.79 GPR119 (0.35) GPR119MEN1KMT2A
SCHEMBL4438782 0.79 ROCK1 (0.38) GPR119
SCHEMBL3305694 0.79 GPR119 (0.34) GPR119
SCHEMBL3305215 0.78 GPR119 (0.47) HTR6TRIM24GPR119
SCHEMBL3300962 0.78 TRIM24 (0.41) HTR6TRIM24GPR119MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed