SCHEMBL4440927

SCHEMBL4440927

CN(C)CCN(C(=O)O)c1ccnc(N2CCc3cc(N)ccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.41
ROCK1 Q13464 7/20 0.38
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
EIF4E P06730 2/20 0.35
MKNK1 Q9BUB5 2/20 0.35
MKNK2 Q9HBH9 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ATAD2 Q6PL18 1/20 0.33
TP53 P04637 1/20 0.33
NR1H2 P55055 1/20 0.32

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
SCHEMBL3304229 0.88 NR1H2 (0.40) GPR119ROCK1NR1H2
SCHEMBL4429771 0.86 ROCK1 (0.46) GPR119ROCK1ADRB2ADRB1ADRB3
SCHEMBL3304235 0.83 GPR119 (0.36) GPR119ROCK1ADRB2ADRB1ADRB3
SCHEMBL3295839 0.80 ADRB2 (0.45) GPR119ADRB2ADRB1ADRB3
SCHEMBL3300949 0.76 HRH3 (0.54) ROCK1ADRB2ADRB1ADRB3EIF4E
SCHEMBL3301776 0.75 ROCK1 (0.43) GPR119ROCK1
SCHEMBL13390147 0.70 ADRB2 (0.40) GPR119ADRB2ADRB1ADRB3
SCHEMBL3035321 0.70 ROCK1 (0.47) ROCK1ADRB2ADRB1ADRB3ATAD2
SCHEMBL13391670 0.69 POLB (0.35) GPR119ROCK1ADRB2ADRB1ADRB3
SCHEMBL3301780 0.69 ROCK1 (0.42) GPR119ROCK1EIF4EMKNK1MKNK2

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