SCHEMBL20140601

SCHEMBL20140601

N#Cc1ccccc1N1CCN(Cc2cc(C(=O)O)c(F)cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.52
MTOR P42345 1/20 0.51
RPTOR Q8N122 1/20 0.51
MLST8 Q9BVC4 1/20 0.51
DRD4 P21917 10/20 0.50
DRD2 P14416 7/20 0.50
HTR7 P34969 1/20 0.47
DRD3 P35462 6/20 0.46
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
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
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 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
SCHEMBL20139960 0.89 MTOR (0.56) DPP4MTORRPTORMLST8DRD4
SCHEMBL20140642 0.84 MTOR (0.51) DPP4MTORRPTORMLST8DRD4
SCHEMBL20140078 0.82 MTOR (0.51) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140126 0.82 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
Hydrochloric Acid SCHEMBL20140671 0.81 MTOR (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139883 0.81 MTOR (0.54) DPP4MTORRPTORMLST8DRD4
SCHEMBL20157177 0.81 DPP4 (0.48) DPP4MTORRPTORMLST8DRD4
SCHEMBL20140641 0.81 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141188 0.80 MTOR (0.56) DPP4MTORRPTORMLST8DRD4
SCHEMBL20140118 0.80 DRD4 (0.50) DPP4MTORRPTORMLST8DRD4

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