SCHEMBL20156824

SCHEMBL20156824

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.56
RPTOR Q8N122 7/20 0.56
MLST8 Q9BVC4 7/20 0.56
TACR3 P29371 1/20 0.46
DRD4 P21917 6/20 0.46
ALDH1A1 P00352 4/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 4/20 0.46
KDM4E B2RXH2 2/20 0.46
PLA2G1B P04054 1/20 0.46
RAB9A P51151 1/20 0.46
ATG4B Q9Y4P1 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
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HTR2A P28223 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
SCHEMBL20139928 1.00 MTOR (0.56) MTORRPTORMLST8TACR3DRD4
SCHEMBL20140200 0.95 MTOR (0.59) MTORRPTORMLST8TACR3DRD4
SCHEMBL20156918 0.91 MTOR (0.55) MTORRPTORMLST8TACR3DRD4
SCHEMBL20139962 0.91 MTOR (0.55) MTORRPTORMLST8TACR3DRD4
SCHEMBL20139966 0.91 MTOR (0.61) MTORRPTORMLST8TACR3ALDH1A1
SCHEMBL20140023 0.91 MTOR (0.61) MTORRPTORMLST8TACR3ALDH1A1
SCHEMBL20140235 0.90 MTOR (0.67) MTORRPTORMLST8DRD4ALDH1A1
SCHEMBL20140824 0.90 MTOR (0.67) MTORRPTORMLST8DRD4ALDH1A1
SCHEMBL20140760 0.90 MTOR (0.53) MTORRPTORMLST8TACR3DRD4
SCHEMBL20140342 0.90 MTOR (0.56) MTORRPTORMLST8DRD4ALDH1A1

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