SCHEMBL20141156

SCHEMBL20141156

Cc1cc(C)c(N(c2ccccc2OC(F)(F)F)C2CCNCC2)cc1C(=O)N1CCN(c2ccccn2)[C@H](CO[Si](C)(C)C(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.44
RPTOR Q8N122 3/20 0.44
MLST8 Q9BVC4 3/20 0.44
HCRTR2 O43614 14/20 0.39
HCRTR1 O43613 12/20 0.39
PROKR1 Q8TCW9 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM5A P29375 1/20 0.31

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
SCHEMBL20140850 0.92 MTOR (0.53) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20141254 0.91 MTOR (0.53) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20140938 0.82 MTOR (0.63) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20133740 0.79 MTOR (0.68) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL21340108 0.78 MTOR (0.72) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL21340109 0.78 MTOR (0.72) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20141346 0.72 SLC6A2 (0.44)
SCHEMBL21340089 0.72 MTOR (0.81) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20133588 0.72 MTOR (0.81) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL22159431 0.71 MTOR (0.86) MTORRPTORMLST8HCRTR2HCRTR1

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