SCHEMBL3375494

SCHEMBL3375494

CS(=O)(=O)c1ccc(-c2ccc(OC3CN(C(=O)O)C3)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.46
APP P05067 4/20 0.46
SLC6A9 P48067 4/20 0.44
CYP2C9 P11712 2/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 3/20 0.41
GPR55 Q9Y2T6 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40

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
SCHEMBL3348738 0.89 GPR119 (0.52) GPR119APPSLC6A9CYP2C9ESR1
SCHEMBL3344019 0.86 GPR119 (0.61) GPR119CYP2C9
SCHEMBL3343666 0.81 GPR119 (0.64) GPR119CYP2C9
Hydrochloric Acid SCHEMBL3342689 0.79 PTGS2 (0.42) GPR119APPCYP2C9ESR1CYP1A2
SCHEMBL3343300 0.79 GPR119 (0.69) GPR119CYP2C9
SCHEMBL3342683 0.78 APP (0.46) GPR119APPCYP2C9ESR1PTGS2
Hydrochloric Acid SCHEMBL3347558 0.77 APP (0.45) GPR119APPCYP2C9ESR1PTGS2
SCHEMBL3343980 0.76 GPR119 (0.51) GPR119PTGS2
SCHEMBL29768639 0.76 ESR1 (0.49) GPR119ESR1PTGS2PRKAB2PRKAG1
Hydrochloric Acid SCHEMBL3346673 0.76 BCL9 (0.43) GPR119APPESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed