SCHEMBL4052785

SCHEMBL4052785

CNC(=O)OCC(=O)CCN1c2ccccc2N(c2ccccc2)S1(O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.42
SLC6A3 Q01959 7/20 0.42
SLC6A4 P31645 2/20 0.42
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3613617 0.83 SLC6A2 (0.60) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3602784 0.82 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3615336 0.78 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3611810 0.78 SLC6A2 (0.50) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3615339 0.77 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3603102 0.77 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3608350 0.74 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4059292 0.72 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3609182 0.71 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3609177 0.71 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4KCNH2

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