SCHEMBL4466862

SCHEMBL4466862

CC(C)c1noc(N2CCC(n3cc(Oc4ccc(S(C)(=O)=O)c(F)c4)cn3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.48
GPR183 P32249 1/20 0.45
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 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
SCHEMBL4463566 0.86 GPR119 (0.57) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL4454106 0.85 GPR119 (0.54) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL1128738 0.81 CYP3A4 (0.48) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL2371137 0.77 GPR119 (0.60) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL15110124 0.77 GPR119 (0.50) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL174827 0.77 GPR119 (0.51) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL2370813 0.77 GPR119 (0.51) GPR119GPR183KCNH2CYP3A4CYP2C19
SCHEMBL16965423 0.76 GPR119 (0.71) GPR119GPR183KCNH2
SCHEMBL13195549 0.76 GPR119 (0.71) GPR119GPR183KCNH2
SCHEMBL16965444 0.76 GPR119 (0.71) GPR119GPR183KCNH2

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