SCHEMBL905090

SCHEMBL905090

Cc1ccc(N2CCC(c3noc4c(N5CCc6cc([S+](C)[O-])ccc65)ncnc34)CC2)nc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.46
MAP4K4 O95819 3/20 0.33
SCD O00767 2/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL905117 0.79 GPR119 (0.60) GPR119
SCHEMBL905095 0.77 GPR119 (0.55) GPR119
SCHEMBL905139 0.72 GPR119 (0.67) GPR119
SCHEMBL10034542 0.72 GPR119 (0.76) GPR119
SCHEMBL905150 0.72 GPR119 (0.76) GPR119
SCHEMBL905159 0.72 GPR119 (0.76) GPR119
SCHEMBL10034543 0.71 GPR119 (0.77) GPR119
SCHEMBL10034540 0.71 GPR119 (0.65) GPR119
SCHEMBL905154 0.71 GPR119 (0.64) GPR119
SCHEMBL905089 0.69 GPR119 (0.62) GPR119

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