SCHEMBL765216

SCHEMBL765216

O=C(O)N1CCOc2ccc(O)cc2S1(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP3A4 P08684 1/20 0.34
CA2 P00918 3/20 0.34
CA5A P35218 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
CTNNB1 P35222 1/20 0.33
RAB9A P51151 4/20 0.32
MAPT P10636 3/20 0.32
NPC1 O15118 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RECQL P46063 2/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL760249 0.84 LMNA (0.37) MAOBCA2ALDH1A1RAB9AMAPT
SCHEMBL801403 0.79 DRD2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL759900 0.79 FAAH (0.44) RAB9ANPC1
SCHEMBL759673 0.70 MAPT (0.43) ALDH1A1RAB9AMAPTNPC1KDM4E
SCHEMBL765579 0.69 LMNA (0.51) ALDH1A1HPGDRAB9AMAPTNPC1
SCHEMBL781907 0.67 GPR119 (0.37) MAPTSMN1; SMN2
SCHEMBL6563194 0.66 CYP3A4 (0.44) MAOAMAOBCYP3A4CA2CA5A
SCHEMBL5533649 0.63 NOTUM (0.65)
SCHEMBL802352 0.63 PIK3CA (0.39) ALDH1A1HPGDRAB9AMAPTNPSR1
SCHEMBL20895849 0.63 ALDH1A1 (0.46) ALDH1A1HPGDRAB9AMAPTNPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431360-B1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors SERVIER LAB (FR) 2013-04-17 EP disclosed
WO-2012035216-A1 DIHYDROBENZOXATHIAZEPINE DERIVATIVES, PREPARATION THEREOF, PHARMACEUTICAL COMPOSITIONS AND USE AS AMPA RECEPTOR MODULATORS LES LABORATOIRES SERVIER (FR) 2012-03-22 WO disclosed
EP-2431360-A1 Derivatives of dihydrobenzoxathiazepine, method of preparing same and pharmaceutical compositions containing them as well as their uses as modulators of AMPA receptors Les Laboratoires Servier (FR) 2012-03-21 EP disclosed