SCHEMBL4056151

SCHEMBL4056151

CC(C)(C)OC(=O)N1CCOC(CN2c3ccccc3N(c3ccccc3OC(F)(F)F)S2(=O)=O)C1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.48
SLC6A3 Q01959 5/20 0.38
ABHD6 Q9BV23 2/20 0.36
DAGLA Q9Y4D2 1/20 0.36
EPHA2 P29317 4/20 0.35
NR1H4 Q96RI1 1/20 0.35
SLC6A4 P31645 2/20 0.35
USP30 Q70CQ3 2/20 0.35
LIPE Q05469 1/20 0.35
ERBB2 P04626 1/20 0.34
EPHB4 P54760 1/20 0.34
CHRM4 P08173 2/20 0.34

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
SCHEMBL4056148 0.92 SLC6A2 (0.40) SLC6A2ABHD6DAGLAEPHA2NR1H4
SCHEMBL3605770 0.86 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4USP30
SCHEMBL4062934 0.85 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4
SCHEMBL3604646 0.84 SLC6A2 (0.50) SLC6A2SLC6A3EPHA2SLC6A4
SCHEMBL3605773 0.79 SLC6A2 (0.53) SLC6A2SLC6A3EPHA2SLC6A4USP30
SCHEMBL4063312 0.78 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4USP30
SCHEMBL3604644 0.78 SLC6A2 (0.41) SLC6A2SLC6A3EPHA2SLC6A4USP30
SCHEMBL4062931 0.77 SLC6A2 (0.41) SLC6A2EPHA2NR1H4USP30ERBB2
SCHEMBL3600999 0.76 SLC6A2 (0.67) SLC6A2SLC6A3SLC6A4
SCHEMBL4063320 0.73 SLC6A2 (0.44) SLC6A2EPHA2SLC6A4USP30

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