SCHEMBL20156931

SCHEMBL20156931

Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.51
RPTOR Q8N122 3/20 0.51
MLST8 Q9BVC4 3/20 0.51
HTR7 P34969 1/20 0.48
PARP1 P09874 2/20 0.47
TACR3 P29371 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 1/20 0.45
DRD4 P21917 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL20140044 0.95 MTOR (0.54) MTORRPTORMLST8HTR7PARP1
SCHEMBL20140664 0.91 MTOR (0.57) MTORRPTORMLST8HTR7PARP1
SCHEMBL20139930 0.90 MTOR (0.53) MTORRPTORMLST8HTR7ALDH1A1
SCHEMBL20140587 0.87 MTOR (0.54) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20139909 0.87 LMNA (0.52) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140693 0.87 HCRTR1 (0.49) MTORRPTORMLST8PARP1ALDH1A1
SCHEMBL20140585 0.87 PPARG (0.47) MTORRPTORMLST8PARP1TACR3
SCHEMBL20157188 0.87 MTOR (0.55) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20157186 0.87 MTOR (0.55) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20156824 0.86 MTOR (0.56) MTORRPTORMLST8TACR3ALDH1A1

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 1 patent. 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