SCHEMBL20141809

SCHEMBL20141809

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2nccc(C#N)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.44
MTOR P42345 5/20 0.44
RPTOR Q8N122 5/20 0.44
MLST8 Q9BVC4 5/20 0.44
PARP1 P09874 1/20 0.42
CHRM4 P08173 1/20 0.42
PANK3 Q9H999 1/20 0.42
CHRM2 P08172 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
CLK1 P49759 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
TACR3 P29371 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL20157021 0.93 SLC6A7 (0.46) GBA1MTORRPTORMLST8PARP1
SCHEMBL20140660 0.89 MTOR (0.48) GBA1MTORRPTORMLST8PANK3
SCHEMBL20140044 0.88 MTOR (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140693 0.87 HCRTR1 (0.49) GBA1MTORRPTORMLST8PARP1
SCHEMBL20140472 0.85 PARP1 (0.46) GBA1MTORRPTORMLST8PARP1
SCHEMBL20140785 0.85 PARP1 (0.47) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140600 0.85 KDM4E (0.54) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20156931 0.83 MTOR (0.51) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20157212 0.83 GBA1 (0.51) GBA1KDM4EALDH1A1NPSR1DRD4
SCHEMBL20156927 0.83 MTOR (0.47) MTORRPTORMLST8PARP1KDM4E

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