Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20140080

Cc1cc(C)c(C(=O)N2C3CCC2CN(c2cc(F)c(F)cc2C#N)C3)cc1CN1CCN(c2ccccc2C#N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.42
RPTOR Q8N122 8/20 0.42
MLST8 Q9BVC4 8/20 0.42
CHRM2 P08172 1/20 0.38
DRD4 P21917 4/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
AR P10275 1/20 0.38
HTR7 P34969 1/20 0.37
DPP4 P27487 1/20 0.36
CHRM4 P08173 1/20 0.36
GPR6 P46095 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL20140996 0.96 MTOR (0.44) MTORRPTORMLST8CHRM2DRD4
SCHEMBL20140926 0.84 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141003 0.84 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156834 0.84 MTOR (0.54) MTORRPTORMLST8DPP4
SCHEMBL20139860 0.81 MTOR (0.46) MTORRPTORMLST8CHRM2DRD4
SCHEMBL20156791 0.80 MTOR (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140350 0.79 MTOR (0.54) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140147 0.78 MTOR (0.47) MTORRPTORMLST8CHRM2DRD4
SCHEMBL20140760 0.78 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156789 0.78 MTOR (0.49) MTORRPTORMLST8DPP4

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