SCHEMBL905143

SCHEMBL905143

CC(C)(C)COC(=O)N1CCC(c2noc3c(Nc4ccc(S(C)(=O)=O)cc4F)ncnc23)CC1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.82
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL905167 0.94 GPR119 (0.80) GPR119CYP3A4CYP2C9
SCHEMBL905106 0.94 GPR119 (0.79) GPR119CYP3A4CYP2C9
SCHEMBL905128 0.90 GPR119 (1.00) GPR119CYP3A4CYP2C9
SCHEMBL905111 0.89 GPR119 (0.76) GPR119CYP3A4CYP2C9
SCHEMBL905118 0.88 GPR119 (0.88) GPR119CYP3A4CYP2C9
SCHEMBL14875471 0.88 GPR119 (0.82) GPR119CYP3A4CYP2C9
SCHEMBL905172 0.87 GPR119 (0.80) GPR119CYP3A4CYP2C9
SCHEMBL905168 0.86 GPR119 (0.79) GPR119CYP3A4CYP2C9
SCHEMBL905173 0.84 GPR119 (0.75) GPR119CYP3A4CYP2C9
SCHEMBL14875456 0.82 GPR119 (0.80) GPR119CYP3A4CYP2C9

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