SCHEMBL905129

SCHEMBL905129

CC(C)(C)OC(=O)N1CCC(c2noc3c(Oc4ccc(S(C)(=O)=O)cc4)ncnc23)CC1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.65
CYP3A4 P08684 1/20 0.58

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
SCHEMBL10034722 0.88 GPR119 (0.73) GPR119
SCHEMBL14875472 0.85 GPR119 (0.64) GPR119CYP3A4
SCHEMBL10034723 0.83 GPR119 (0.53) GPR119CYP3A4
SCHEMBL905128 0.79 GPR119 (1.00) GPR119CYP3A4
SCHEMBL905138 0.79 GPR119 (0.77) GPR119
SCHEMBL386450 0.78 GPR119 (1.00) GPR119
SCHEMBL2024788 0.76 CYP3A4 (0.69) GPR119CYP3A4
SCHEMBL14883525 0.76 GPR119 (0.54) GPR119CYP3A4
SCHEMBL3343409 0.75 GPR119 (0.69) GPR119CYP3A4
SCHEMBL2016413 0.75 CYP3A4 (0.73) GPR119CYP3A4

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-2012043505-A1 NOVEL PIPERIDINE DERIVATIVE AND PHARMACEUTICAL CONTAINING SAME 興和株式会社 (JP) 2012-04-05 WO disclosed