SCHEMBL1071237

SCHEMBL1071237

C#Cc1c(Oc2cnc(CCS(C)(=O)=O)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1.Cc1c(Oc2cnc(CCN3CCOCC3)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.53
CYP2C9 P11712 4/20 0.53
KCNH2 Q12809 1/20 0.41

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
SCHEMBL388655 0.90 GPR119 (0.54) GPR119CYP2C9KCNH2
SCHEMBL391274 0.89 GPR119 (0.59) GPR119CYP2C9KCNH2
SCHEMBL389832 0.87 GPR119 (0.68) GPR119CYP2C9KCNH2
SCHEMBL3164031 0.81 GPR119 (0.43) GPR119CYP2C9KCNH2
SCHEMBL3164062 0.80 GPR119 (0.47) GPR119CYP2C9KCNH2
SCHEMBL389047 0.79 GPR119 (0.60) GPR119CYP2C9
SCHEMBL390920 0.78 GPR119 (0.65) GPR119CYP2C9
SCHEMBL3171681 0.78 GPR119 (0.54) GPR119CYP2C9KCNH2
SCHEMBL13451418 0.77 GPR119 (0.64) GPR119CYP2C9KCNH2
SCHEMBL390583 0.77 GPR119 (0.69) GPR119CYP2C9KCNH2

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
EP-2004157-B1 USE OF GPR119 RECEPTOR AGONISTS FOR INCREASING BONE MASS AND FOR TREATING OSTEOPOROSIS, AS WELL AS COMBINATION THERAPY RELATING THERETO ARENA PHARM INC (US) 2011-01-12 EP disclosed