SCHEMBL20141091

SCHEMBL20141091

CNC(=O)c1cccnc1N1CCN(C(=O)c2cc(N(c3ccccc3C#N)C3CCNCC3)c(C)cc2C)C[C@@H]1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.45
RPTOR Q8N122 4/20 0.45
MLST8 Q9BVC4 4/20 0.45
FASN P49327 2/20 0.35
PARP1 P09874 1/20 0.35
HCRTR2 O43614 4/20 0.35
HCRTR1 O43613 3/20 0.35
SMO Q99835 3/20 0.34
SLC6A7 Q99884 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM1 Q13255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL20141671 0.88 MTOR (0.44) MTORRPTORMLST8PARP1HCRTR2
SCHEMBL20133688 0.79 MTOR (0.69) MTORRPTORMLST8HCRTR2HCRTR1
SCHEMBL20140969 0.76 MTOR (0.43) MTORRPTORMLST8FASN
SCHEMBL20140929 0.76 MTOR (0.57) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140898 0.73 SLC6A4 (0.41)
SCHEMBL20141225 0.73 MTOR (0.41) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20141029 0.72 SLC6A2 (0.38) HCRTR2HCRTR1SMN1; SMN2KDM4EALDH1A1
SCHEMBL20141054 0.71 MTOR (0.48) MTORRPTORMLST8PARP1SMN1; SMN2
SCHEMBL20141263 0.71 MTOR (0.46) MTORRPTORMLST8PARP1
SCHEMBL20141443 0.70 MTOR (0.45) MTORRPTORMLST8SMN1; SMN2KDM4E

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