SCHEMBL20140078

SCHEMBL20140078

N#Cc1ccccc1N1CCN(Cc2cc(C(=O)O)c(Cl)cc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.51
RPTOR Q8N122 2/20 0.51
MLST8 Q9BVC4 2/20 0.51
DRD4 P21917 9/20 0.50
DRD2 P14416 7/20 0.50
DRD3 P35462 6/20 0.49
HTR7 P34969 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.46
PLA2G1B P04054 1/20 0.46
RAB9A P51151 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
KCNH2 Q12809 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
THPO P40225 1/20 0.44
HIF1A Q16665 1/20 0.44
CHRM4 P08173 1/20 0.43

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
SCHEMBL20140631 0.89 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140601 0.82 DPP4 (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140126 0.82 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
Hydrochloric Acid SCHEMBL20140671 0.81 MTOR (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140641 0.81 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139944 0.80 DRD4 (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141432 0.79 MTOR (0.50) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140837 0.78 DRD4 (0.48) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140541 0.78 MTOR (0.46) MTORRPTORMLST8ALDH1A1RAB9A
SCHEMBL20139928 0.77 MTOR (0.56) MTORRPTORMLST8DRD4DRD2

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