SCHEMBL13548236

SCHEMBL13548236

CC(C)OC(=O)N1CCC(N2CCc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 19/20 0.67
▸ CYP2C9 P11712 3/20 0.59
▸ CYP3A4 P08684 1/20 0.54

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
SCHEMBL1449982 0.89 GPR119 (0.63) GPR119CYP2C9CYP3A4
SCHEMBL2372308 0.87 GPR119 (0.63) GPR119CYP2C9CYP3A4
SCHEMBL11913106 0.86 GPR119 (0.62) GPR119CYP2C9CYP3A4
SCHEMBL11913061 0.81 GPR119 (0.62) GPR119CYP2C9CYP3A4
SCHEMBL12596422 0.81 GPR119 (0.66) GPR119CYP2C9CYP3A4
SCHEMBL10137743 0.81 GPR119 (0.66) GPR119CYP2C9CYP3A4
SCHEMBL10171813 0.81 GPR119 (0.66) GPR119CYP2C9CYP3A4
SCHEMBL303668 0.81 CYP2C9 (0.80) GPR119CYP2C9CYP3A4
SCHEMBL10137710 0.81 GPR119 (0.81) GPR119CYP2C9CYP3A4
SCHEMBL11317271 0.80 GPR119 (1.00) 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-2010009207-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS GPCR MODULATORS SCHERING CORPORATION (US) 2010-01-21 — — WO disclosed
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