SCHEMBL905170

SCHEMBL905170

CS(=O)(=O)c1ccc(Nc2ncnc3c(C4CCN(c5ccc(C(F)(F)F)cn5)CC4)noc23)c(F)c1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.65
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
SLC6A9 P48067 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL905164 0.91 GPR119 (0.67) GPR119CYP3A4CYP2C9
SCHEMBL14875356 0.87 GPR119 (0.65) GPR119CYP3A4CYP2C9NR1H2NR1H3
SCHEMBL905167 0.80 GPR119 (0.80) GPR119CYP3A4CYP2C9
SCHEMBL905095 0.80 GPR119 (0.55) GPR119
SCHEMBL905128 0.79 GPR119 (1.00) GPR119CYP3A4CYP2C9
SCHEMBL905118 0.79 GPR119 (0.88) GPR119CYP3A4CYP2C9
SCHEMBL14875374 0.78 GPR119 (0.67) GPR119CYP3A4CYP2C9
SCHEMBL905143 0.77 GPR119 (0.82) GPR119CYP3A4CYP2C9
SCHEMBL905172 0.77 GPR119 (0.80) GPR119CYP3A4CYP2C9
SCHEMBL905106 0.77 GPR119 (0.79) 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