SCHEMBL4565249

SCHEMBL4565249

O=C(O)N1CCOCC1CN1c2c(F)cccc2N(c2ccccc2)S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.43
SLC6A4 P31645 5/20 0.43
HCRTR1 O43613 10/20 0.41
HCRTR2 O43614 10/20 0.41
SLC6A3 Q01959 5/20 0.38
DPP4 P27487 1/20 0.38
CYP3A4 P08684 6/20 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
SCHEMBL4565079 0.77 SLC6A2 (0.40) SLC6A2SLC6A4HCRTR1HCRTR2SLC6A3
SCHEMBL4565495 0.76 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL3612228 0.71 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3598370 0.71 SLC6A2 (0.74) SLC6A2SLC6A4SLC6A3
SCHEMBL4063312 0.70 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL4565604 0.70 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL4061994 0.65 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL23910438 0.65 SMN1; SMN2 (0.47)
SCHEMBL14645771 0.65 DPP4 (0.57) HCRTR1HCRTR2DPP4CYP3A4
SCHEMBL14646637 0.65 DPP4 (0.57) HCRTR1HCRTR2DPP4CYP3A4

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