SCHEMBL20141213

SCHEMBL20141213

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cc3)[C@@H](CO)C2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.77
RPTOR Q8N122 9/20 0.77
MLST8 Q9BVC4 9/20 0.77
HSD11B1 P28845 2/20 0.39
DPP4 P27487 1/20 0.38
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
SMO Q99835 1/20 0.34
MC2R Q01718 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
SCHEMBL20133790 1.00 MTOR (0.77) MTORRPTORMLST8HSD11B1DPP4
SCHEMBL21360389 0.94 MTOR (0.76) MTORRPTORMLST8DPP4HCRTR1
SCHEMBL20141220 0.94 MTOR (0.76) MTORRPTORMLST8DPP4HCRTR1
SCHEMBL21360294 0.94 MTOR (0.76) MTORRPTORMLST8DPP4HCRTR1
SCHEMBL21360392 0.93 MTOR (0.75) MTORRPTORMLST8HSD11B1DPP4
SCHEMBL20140844 0.93 MTOR (0.75) MTORRPTORMLST8HSD11B1DPP4
SCHEMBL20141344 0.92 MTOR (0.82) MTORRPTORMLST8DPP4PARP1
SCHEMBL21360360 0.92 MTOR (0.82) MTORRPTORMLST8DPP4PARP1
SCHEMBL21360288 0.92 MTOR (0.80) MTORRPTORMLST8DPP4ALDH1A1
SCHEMBL21360321 0.92 MTOR (0.80) MTORRPTORMLST8DPP4ALDH1A1

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