SCHEMBL20140157

SCHEMBL20140157

CS(=O)(=O)OC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.41
CHRM4 P08173 1/20 0.40
DRD2 P14416 3/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR7 P34969 2/20 0.39
DRD4 P21917 3/20 0.39
MTOR P42345 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
DRD3 P35462 1/20 0.39
PKM P14618 1/20 0.39
THRB P10828 1/20 0.38
RORC P51449 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL19527540 0.78 KDM4E (0.44) GRM5CHRM4DRD2KDM4EALDH1A1
SCHEMBL6132771 0.76 KDM4E (0.50) KDM4ECYP3A4
SCHEMBL13176022 0.76 MEN1 (0.59) GRM5DRD2KDM4EALDH1A1HTR7
SCHEMBL20140119 0.76 GRM5 (0.49) GRM5CHRM4DRD2KDM4EALDH1A1
SCHEMBL30619347 0.75 ALDH1A1 (0.62) GRM5DRD2KDM4EALDH1A1DRD4
SCHEMBL3088832 0.73 DRD4 (0.54) GRM5DRD2ADRA1DADRA1AADRA1B
SCHEMBL7519811 0.72 CHRM4 (0.45) GRM5CHRM4DRD2KDM4EALDH1A1
SCHEMBL2261269 0.72 KDM4E (0.47) GRM5CHRM4DRD2KDM4EALDH1A1
SCHEMBL20139850 0.72 KCNMA1 (0.50) GRM5CHRM4DRD2ALDH1A1DRD4
SCHEMBL20756875 0.72 KDM4E (0.44) GRM5CHRM4DRD2ADRA1DADRA1A

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed