SCHEMBL4565495

SCHEMBL4565495

CC(C)(C)OC(=O)N1CCOCC1CN1c2ccccc2N(c2ccccc2)S1(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.48
SLC6A3 Q01959 7/20 0.44
IL1B P01584 1/20 0.41
P2RX7 Q99572 1/20 0.41
SLC6A4 P31645 4/20 0.40
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4064766 0.77 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4NR1H2NR1H3
SCHEMBL3605770 0.77 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4GPR119KCNH2
SCHEMBL4059662 0.77 GPR119 (0.53) SLC6A2SLC6A3SLC6A4GPR119
SCHEMBL4565249 0.76 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4
SCHEMBL3605040 0.74 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4GPR119
SCHEMBL4058421 0.74 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4GPR119KCNH2
SCHEMBL20445846 0.74 IL1B (0.43) IL1BP2RX7NR1H2NR1H3
SCHEMBL29428225 0.74 IL1B (0.43) IL1BP2RX7NR1H2NR1H3
SCHEMBL3237401 0.73 NR1H2 (0.43) IL1BP2RX7NR1H2NR1H3
SCHEMBL4062683 0.73 GPR119 (0.55) SLC6A2SLC6A3SLC6A4GPR119KCNH2

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-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed