SCHEMBL4060313

SCHEMBL4060313

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

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 17/20 0.54
SLC6A3 Q01959 10/20 0.54
SLC6A4 P31645 9/20 0.54
KCNH2 Q12809 1/20 0.45
GRM5 P41594 1/20 0.41
EEF2K O00418 1/20 0.39

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
SCHEMBL4060309 0.89 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4GRM5EEF2K
SCHEMBL3601988 0.88 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3610819 0.87 SLC6A2 (0.58) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3611998 0.84 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3602695 0.84 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3613057 0.83 SLC6A2 (0.54) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3600513 0.83 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4KCNH2
Hydrochloric Acid SCHEMBL3609518 0.83 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4KCNH2
SCHEMBL3599871 0.82 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4KCNH2EEF2K
SCHEMBL3611229 0.80 SLC6A2 (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069315-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. Organon (NL) 2009-06-17 EP disclosed
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
WO-2008033764-A2 QUINAZOLINONE AND ISOQUINOLINONE ACETAMIDE DERIVATIVES N.V. ORGANON (NL) 2008-03-20 WO disclosed