SCHEMBL20141096

SCHEMBL20141096

Cc1cc(C)c(C(=O)O)cc1N[C@@H]1CCN(c2ccccc2C#N)C[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.49
RPTOR Q8N122 7/20 0.49
MLST8 Q9BVC4 7/20 0.49
ADAM17 P78536 2/20 0.41
GRM1 Q13255 2/20 0.39
DRD4 P21917 5/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
NOTUM Q6P988 1/20 0.36
GRM5 P41594 1/20 0.36
CHRM4 P08173 1/20 0.35

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
SCHEMBL20129655 1.00 MTOR (0.49) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20140888 1.00 MTOR (0.49) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20141077 1.00 MTOR (0.49) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20129657 0.91 MTOR (0.48) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20140903 0.91 MTOR (0.48) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20133858 0.87 MTOR (0.58) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20129637 0.85 MTOR (0.64) MTORRPTORMLST8DRD4DRD2
SCHEMBL22187910 0.84 MTOR (0.45) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20129725 0.83 MTOR (0.51) MTORRPTORMLST8ADAM17GRM1
SCHEMBL20140965 0.83 MTOR (0.51) MTORRPTORMLST8ADAM17GRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed