SCHEMBL20141344

SCHEMBL20141344

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3F)[C@@H](CO)C2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.82

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.82
RPTOR Q8N122 9/20 0.82
MLST8 Q9BVC4 9/20 0.82
DPP4 P27487 1/20 0.40
PANK3 Q9H999 1/20 0.38
MC2R Q01718 1/20 0.36
PARP1 P09874 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
FASN P49327 2/20 0.35

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
SCHEMBL21360360 1.00 MTOR (0.82) MTORRPTORMLST8DPP4PANK3
SCHEMBL21360321 0.95 MTOR (0.80) MTORRPTORMLST8DPP4MC2R
SCHEMBL21360288 0.95 MTOR (0.80) MTORRPTORMLST8DPP4MC2R
SCHEMBL20133553 0.94 MTOR (0.77) MTORRPTORMLST8DPP4MC2R
SCHEMBL20133690 0.94 MTOR (0.77) MTORRPTORMLST8DPP4MC2R
SCHEMBL20150230 0.94 MTOR (0.77) MTORRPTORMLST8DPP4MC2R
SCHEMBL20133790 0.92 MTOR (0.77) MTORRPTORMLST8DPP4MC2R
SCHEMBL20141213 0.92 MTOR (0.77) MTORRPTORMLST8DPP4MC2R
SCHEMBL21360389 0.91 MTOR (0.76) MTORRPTORMLST8DPP4ALDH1A1
SCHEMBL21360294 0.91 MTOR (0.76) 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