SCHEMBL3669306

SCHEMBL3669306

O=C(O)CO[C@H]1CC[C@H](c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47
FFAR4 Q5NUL3 3/20 0.39
GPR119 Q8TDV5 3/20 0.38
HCRTR2 O43614 3/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR35 Q9HC97 1/20 0.37
CXCR2 P25025 2/20 0.36
MCHR1 Q99705 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CXCR1 P25024 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
SCHEMBL3669303 1.00 DRD2 (0.47) DRD2DRD1DRD4DRD5DRD3
SCHEMBL601404 0.86 GPR119 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL601405 0.86 GPR119 (0.45) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22444698 0.83 DRD2 (0.57) DRD2DRD1DRD4DRD5DRD3
SCHEMBL899642 0.82 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL2258441 0.82 DRD2 (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3392926 0.81 DRD2 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3652027 0.81 DRD2 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3652025 0.81 DRD2 (0.48) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3668487 0.78 ESR2 (0.49) FFAR4HCRTR2

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-2391611-B1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
EP-2391611-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-07 EP disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO disclosed