SCHEMBL20140950

SCHEMBL20140950

Cc1cccc(N2CCN(C(=O)c3cc(CC4CCN(c5ccccc5C#N)CC4)c(C)cc3C)CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.49
RPTOR Q8N122 9/20 0.49
MLST8 Q9BVC4 9/20 0.49
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.39
TRPA1 O75762 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
PHGDH O43175 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL20140897 0.89 MTOR (0.45) MTORRPTORMLST8MAPK1PARP1
SCHEMBL20141546 0.85 MTOR (0.47) MTORRPTORMLST8
SCHEMBL20139914 0.84 MTOR (0.53) MTORRPTORMLST8PARP1HTR1A
SCHEMBL20140782 0.80 CHRM4 (0.44) MTORRPTORMLST8HTR1A
SCHEMBL20139884 0.78 BDKRB1 (0.47) MTORRPTORMLST8
SCHEMBL20157274 0.78 MTOR (0.49) MTORRPTORMLST8PARP1PHGDH
SCHEMBL20141526 0.77 MTOR (0.50) MTORRPTORMLST8PHGDHCFTR
SCHEMBL20141050 0.77 MTOR (0.46) MTORRPTORMLST8PARP1
SCHEMBL20140200 0.77 MTOR (0.59) MTORRPTORMLST8PARP1
SCHEMBL20156963 0.76 GBA1 (0.45) MTORRPTORMLST8PARP1PHGDH

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed