SCHEMBL20141225

SCHEMBL20141225

Cc1cc(C)c(N(c2ccccc2C#N)C2CCNCC2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](CO)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.41
RPTOR Q8N122 4/20 0.41
MLST8 Q9BVC4 4/20 0.41
GPR119 Q8TDV5 5/20 0.39
PARP1 P09874 2/20 0.38
SPR P35270 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALDH1A1 P00352 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
NSD2 O96028 1/20 0.32
AR P10275 2/20 0.32
RBP4 P02753 1/20 0.32

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
SCHEMBL20140969 0.90 MTOR (0.43) MTORRPTORMLST8
SCHEMBL20133537 0.78 MTOR (0.66) MTORRPTORMLST8GPR119PARP1
SCHEMBL20133558 0.78 MTOR (0.66) MTORRPTORMLST8GPR119PARP1
SCHEMBL20141054 0.76 MTOR (0.48) MTORRPTORMLST8PARP1SPR
SCHEMBL20140898 0.76 SLC6A4 (0.41)
SCHEMBL20141029 0.75 SLC6A2 (0.38) ALDH1A1
SCHEMBL20141263 0.75 MTOR (0.46) MTORRPTORMLST8PARP1
SCHEMBL20141671 0.73 MTOR (0.44) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20141228 0.73 MTOR (0.45) MTORRPTORMLST8PARP1RBP4
SCHEMBL20140929 0.73 MTOR (0.57) MTORRPTORMLST8PARP1ALDH1A1

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