SCHEMBL4239662

SCHEMBL4239662

O=S1(=O)N(CCCCl)c2ccccc2N1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.43
SLC6A3 Q01959 5/20 0.43
SLC6A4 P31645 3/20 0.42
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
HTR2A P28223 3/20 0.39
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4057643 0.84 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL4940308 0.83 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4063112 0.83 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4055598 0.82 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4059632 0.82 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4057117 0.79 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4055314 0.76 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4
SCHEMBL4540522 0.71 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4064050 0.70 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL4062370 0.69 SLC6A2 (0.60) 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