SCHEMBL5052027

SCHEMBL5052027

COc1c(Nc2ccc(NCCS(C)(=O)=O)nc2)ncnc1OC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
TDO2 P48775 2/20 0.36
EGFR P00533 2/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
ESR1 P03372 1/20 0.34
PIK3CA P42336 1/20 0.34
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
NTRK1 P04629 1/20 0.32
ABL1 P00519 1/20 0.32
SGK1 O00141 1/20 0.31
DYRK1A Q13627 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL390005 0.83 GPR119 (0.61) GPR119CYP2C9KCNH2
SCHEMBL3257673 0.82 GPR119 (0.48) GPR119CYP2C9KCNH2
SCHEMBL5140723 0.74 GPR119 (0.51) GPR119CYP2C9KCNH2MKNK2
SCHEMBL5045857 0.72 GPR119 (0.51) GPR119CYP2C9EGFR
SCHEMBL5046463 0.70 GPR119 (0.55) GPR119CYP2C9KCNH2PIK3CA
SCHEMBL391409 0.70 GPR119 (0.67) GPR119CYP2C9KCNH2
SCHEMBL3139864 0.69 GPR119 (0.75) GPR119CYP2C9KCNH2
SCHEMBL6065460 0.69 GPR119 (0.50) GPR119CYP2C9KCNH2EGFRCYP11B1
SCHEMBL14357664 0.69 GPR119 (0.55) GPR119CYP2C9KCNH2EGFRMKNK2
SCHEMBL1897946 0.69 GPR119 (0.56) GPR119CYP2C9KCNH2CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004157-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO Arena Pharmaceuticals, Inc. (US) 2008-12-24 EP disclosed
WO-2007120702-A2 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AND COMBINATION THERAPY RELATING THERETO ARENA PHARMACEUTICALS, INC. (US) 2007-10-25 WO disclosed