SCHEMBL20142089

SCHEMBL20142089

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2C)nc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.71
RPTOR Q8N122 9/20 0.71
MLST8 Q9BVC4 9/20 0.71
GRM1 Q13255 2/20 0.41
GPR6 P46095 1/20 0.37
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
DRD4 P21917 1/20 0.34
NAAA Q02083 1/20 0.34
PHGDH O43175 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34

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
SCHEMBL20133674 1.00 MTOR (0.71) MTORRPTORMLST8GRM1GPR6
SCHEMBL22693226 0.92 MTOR (0.83) MTORRPTORMLST8GRM1GPR6
SCHEMBL20133657 0.91 MTOR (0.84) MTORRPTORMLST8GPR6DRD4
SCHEMBL22187975 0.84 MTOR (0.75) MTORRPTORMLST8GPR6PHGDH
SCHEMBL20133547 0.84 MTOR (0.75) MTORRPTORMLST8GPR6PHGDH
SCHEMBL20133676 0.83 MTOR (0.74) MTORRPTORMLST8GPR6PHGDH
SCHEMBL20133659 0.83 MTOR (0.74) MTORRPTORMLST8GPR6PHGDH
SCHEMBL20133671 0.83 MTOR (1.00) MTORRPTORMLST8GPR6
SCHEMBL22188079 0.82 MTOR (0.73) MTORRPTORMLST8GPR6PHGDH
SCHEMBL20142672 0.82 MTOR (0.50) MTORRPTORMLST8GRM1DRD4

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