SCHEMBL4060309

SCHEMBL4060309

O=C(O)N1CCN(CCN2c3ccccc3N(c3ccc(F)cc3F)S2(O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 3/20 0.43
SLC6A4 P31645 2/20 0.43
GRM5 P41594 1/20 0.41
EEF2K O00418 1/20 0.39
HTR2A P28223 5/20 0.38
HTR2C P28335 5/20 0.38
GPR183 P32249 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HTR1A P08908 1/20 0.36

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
SCHEMBL4060313 0.89 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4GRM5EEF2K
SCHEMBL3599868 0.82 PLK1 (0.41) SLC6A2SLC6A3EEF2KLMNA
SCHEMBL4059629 0.77 PLK1 (0.43) SLC6A2SLC6A3
SCHEMBL3601988 0.77 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4
SCHEMBL3615703 0.76 TP53 (0.43) LMNA
SCHEMBL3604006 0.76 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4HTT
SCHEMBL4057590 0.76 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4HTR2A
Hydrochloric Acid SCHEMBL3610819 0.76 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4
SCHEMBL3601735 0.75 PLK1 (0.41) LMNA
SCHEMBL4062472 0.75 CHRM2 (0.43) SLC6A2SLC6A3GRM5

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