SCHEMBL3348738

SCHEMBL3348738

CS(=O)(=O)c1ccc(-c2ccc(OC3CCN(C(=O)O)CC3)cc2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.52
APP P05067 4/20 0.49
ESR1 P03372 1/20 0.46
EPHX2 P34913 1/20 0.46
SLC6A9 P48067 1/20 0.45
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL3375494 0.89 GPR119 (0.46) GPR119APPESR1SLC6A9CYP2C9
SCHEMBL3343300 0.87 GPR119 (0.69) GPR119CYP2C9
SCHEMBL3285206 0.84 GPR119 (0.65) GPR119EPHX2HRH1CCR3
SCHEMBL3343666 0.83 GPR119 (0.64) GPR119CYP2C9
SCHEMBL3342683 0.81 APP (0.46) GPR119APPESR1CYP2C9HRH1
SCHEMBL3344012 0.80 GPR119 (0.53) GPR119EPHX2
Hydrochloric Acid SCHEMBL3347558 0.80 APP (0.45) GPR119APPESR1CYP2C9HRH1
SCHEMBL2556261 0.79 GPR119 (0.73) GPR119EPHX2HRH1
SCHEMBL14634420 0.79 GPR119 (0.73) GPR119EPHX2HRH1
SCHEMBL3344019 0.78 GPR119 (0.61) GPR119CYP2C9

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