SCHEMBL20140118

SCHEMBL20140118

N#Cc1ccccc1N1CCN(Cc2c(F)ccc(C(=O)O)c2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.50
DRD2 P14416 6/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
DRD3 P35462 5/20 0.47
MTOR P42345 1/20 0.44
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
HTR7 P34969 1/20 0.43
DPP4 P27487 1/20 0.42
GRM5 P41594 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HTR2A P28223 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL20140739 0.89 PARP1 (0.51) DRD4DRD2KDM4EALDH1A1POLB
SCHEMBL20140601 0.80 DPP4 (0.52) DRD4DRD2KDM4EALDH1A1DRD3
SCHEMBL20157059 0.80 DRD4 (0.50) DRD4DRD2KDM4EALDH1A1DRD3
SCHEMBL20140669 0.80 PARP1 (0.45) KDM4ETSHRMTORRPTORMLST8
SCHEMBL20139944 0.75 DRD4 (0.52) DRD4DRD2KDM4EALDH1A1DRD3
SCHEMBL20133564 0.74 MTOR (0.46) DRD4DRD2ALDH1A1DRD3MTOR
SCHEMBL20139999 0.74 DRD4 (0.48) DRD4DRD2KDM4EALDH1A1DRD3
SCHEMBL20139955 0.73 KDM4E (0.52) DRD4DRD2KDM4EALDH1A1DRD3
SCHEMBL20140126 0.73 MTOR (0.53) DRD4DRD2KDM4EALDH1A1DRD3
SCHEMBL20140078 0.73 MTOR (0.51) DRD4DRD2KDM4EALDH1A1DRD3

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