SCHEMBL20139930

SCHEMBL20139930

Cc1ccc(CN2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2cccc(Cl)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.53
RPTOR Q8N122 2/20 0.53
MLST8 Q9BVC4 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 3/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
HTR1A P08908 1/20 0.49
HTR7 P34969 1/20 0.49
TSHR P16473 6/20 0.48
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL20140716 0.91 MTOR (0.53) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20140044 0.91 MTOR (0.54) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20156931 0.90 MTOR (0.51) MTORRPTORMLST8SMN1; SMN2ALDH1A1
SCHEMBL20141295 0.88 KDM4E (0.50) MTORRPTORMLST8SMN1; SMN2ALDH1A1
SCHEMBL20140587 0.87 MTOR (0.54) MTORRPTORMLST8SMN1; SMN2ALDH1A1
SCHEMBL20140585 0.85 PPARG (0.47) MTORRPTORMLST8DRD2DRD4
SCHEMBL20139909 0.83 LMNA (0.52) MTORRPTORMLST8SMN1; SMN2ALDH1A1
SCHEMBL20140693 0.83 HCRTR1 (0.49) MTORRPTORMLST8ALDH1A1HTT
SCHEMBL20140664 0.83 MTOR (0.57) MTORRPTORMLST8ALDH1A1DRD2
SCHEMBL20140600 0.82 KDM4E (0.54) MTORRPTORMLST8ALDH1A1DRD2

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