SCHEMBL20142258

SCHEMBL20142258

COc1cc(C)c(NC2CCN(c3ccccc3C#N)CC2)cc1C(O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 6/20 0.47
RPTOR Q8N122 6/20 0.47
MLST8 Q9BVC4 6/20 0.47
THRB P10828 2/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
DRD3 P35462 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
PDE5A O76074 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE1C Q14123 1/20 0.37
EHMT2 Q96KQ7 3/20 0.37

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
SCHEMBL20142261 0.85 MTOR (0.51) MTORRPTORMLST8THRBKDM4E
SCHEMBL20133713 0.83 MTOR (0.55) MTORRPTORMLST8THRBDRD4
SCHEMBL20133694 0.80 MTOR (0.54) MTORRPTORMLST8THRBDRD2
SCHEMBL20133693 0.78 MTOR (0.54) MTORRPTORMLST8THRBDRD2
SCHEMBL20129666 0.76 MTOR (0.62) MTORRPTORMLST8THRBDRD2
SCHEMBL20141071 0.76 MTOR (0.53) MTORRPTORMLST8DRD2DRD4
SCHEMBL20140924 0.76 MTOR (0.55) MTORRPTORMLST8THRBDRD2
SCHEMBL20129637 0.76 MTOR (0.64) MTORRPTORMLST8THRBDRD2
SCHEMBL20133777 0.76 MTOR (0.52) MTORRPTORMLST8DRD2DRD4
SCHEMBL20129693 0.74 MTOR (0.61) MTORRPTORMLST8KDM4EALDH1A1

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