SCHEMBL4062006

SCHEMBL4062006

O=C(O)NCCCCN1c2c(F)cccc2N(c2ccccc2)S1(O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.37
DRD2 P14416 6/20 0.35
DRD3 P35462 6/20 0.35
KCNH2 Q12809 1/20 0.35
ADRA1A P35348 1/20 0.35
FAAH O00519 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PLA2G4A P47712 1/20 0.35
HTR1A P08908 2/20 0.33
HTR2A P28223 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HTR2C P28335 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL4061460 0.92 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL4940915 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL4062295 0.83 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL4055129 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4056113 0.81 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL4062000 0.79 KDM4E (0.38) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4053695 0.79 RAB9A (0.40) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL4943820 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4943708 0.78 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL4053143 0.77 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3DRD2DRD3

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