SCHEMBL20140903

SCHEMBL20140903

COC(=O)c1cc(N[C@H]2CCN(c3ccccc3C#N)C[C@H]2C)c(C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.48
RPTOR Q8N122 6/20 0.48
MLST8 Q9BVC4 6/20 0.48
KDM4E B2RXH2 2/20 0.40
BDKRB1 P46663 1/20 0.39
ADAM17 P78536 2/20 0.38
GRM1 Q13255 2/20 0.38
DRD4 P21917 3/20 0.37
OPRK1 P41145 2/20 0.37
DRD3 P35462 2/20 0.37
DRD2 P14416 1/20 0.37
DPP4 P27487 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL20129657 1.00 MTOR (0.48) MTORRPTORMLST8KDM4EBDKRB1
SCHEMBL22187910 0.93 MTOR (0.45) MTORRPTORMLST8KDM4EBDKRB1
SCHEMBL20129655 0.91 MTOR (0.49) MTORRPTORMLST8KDM4EADAM17
SCHEMBL20141096 0.91 MTOR (0.49) MTORRPTORMLST8KDM4EADAM17
SCHEMBL20141077 0.91 MTOR (0.49) MTORRPTORMLST8KDM4EADAM17
SCHEMBL20140888 0.91 MTOR (0.49) MTORRPTORMLST8KDM4EADAM17
SCHEMBL20133856 0.88 MTOR (0.56) MTORRPTORMLST8KDM4EBDKRB1
SCHEMBL20129666 0.85 MTOR (0.62) MTORRPTORMLST8KDM4EBDKRB1
SCHEMBL20129720 0.83 MTOR (0.49) MTORRPTORMLST8KDM4EBDKRB1
SCHEMBL20129726 0.83 MTOR (0.49) MTORRPTORMLST8KDM4EBDKRB1

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