SCHEMBL905139

SCHEMBL905139

CS(=O)(=O)c1ccc2c(c1)CCN2c1ncnc2c(C3CCN(c4ncc(Br)cn4)CC3)noc12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 18/20 0.67
CHRM4 P08173 1/20 0.39
ROCK1 Q13464 1/20 0.38

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
SCHEMBL10034542 0.92 GPR119 (0.76) GPR119CHRM4
SCHEMBL905150 0.92 GPR119 (0.76) GPR119
SCHEMBL905159 0.92 GPR119 (0.76) GPR119
SCHEMBL10034543 0.91 GPR119 (0.77) GPR119
SCHEMBL905154 0.90 GPR119 (0.64) GPR119CHRM4
SCHEMBL10034539 0.90 GPR119 (0.68) GPR119CHRM4
SCHEMBL10034540 0.90 GPR119 (0.65) GPR119
SCHEMBL10034538 0.86 GPR119 (0.66) GPR119CHRM4
SCHEMBL905095 0.83 GPR119 (0.55) GPR119
SCHEMBL905089 0.81 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