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SCHEMBL4459757

SCHEMBL4459757

CC(C)c1noc([C@H]2CC[C@H](n3cc(Oc4ccc(S(C)(=O)=O)cc4F)cn3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 20/20 0.46
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ KCNH2 Q12809 1/20 0.40
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL4454207 1.00 GPR119 (0.46) GPR119CYP3A4CYP2C19KCNH2CYP2C9
SCHEMBL4454106 0.86 GPR119 (0.54) GPR119CYP3A4CYP2C19KCNH2
SCHEMBL1128552 0.80 GPR119 (0.52) GPR119CYP3A4CYP2C19KCNH2CYP2C9
SCHEMBL1128505 0.80 GPR119 (0.52) GPR119CYP3A4CYP2C19KCNH2CYP2C9
SCHEMBL4355567 0.80 GPR119 (0.52) GPR119CYP3A4CYP2C19KCNH2CYP2C9
SCHEMBL4463566 0.72 GPR119 (0.57) GPR119CYP3A4CYP2C19KCNH2
SCHEMBL13282124 0.71 GPR119 (0.58) GPR119CYP3A4CYP2C19CYP2C9
SCHEMBL4466862 0.70 GPR119 (0.48) GPR119CYP3A4CYP2C19KCNH2
SCHEMBL19434252 0.70 GPR119 (0.55) GPR119CYP3A4CYP2C19KCNH2
SCHEMBL1070911 0.69 GPR119 (0.48) GPR119CYP3A4CYP2C19KCNH2CYP2C9

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
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 — — WO claimed
WO-2009141238-A1 GPR119 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-26 — — WO disclosed