Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20141328

Cn1ccc2cc(CN3CCN(c4ccccc4C#N)CC3)cc(C(=O)N3CCN(c4ccccc4C#N)CC3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.49
RPTOR Q8N122 3/20 0.49
MLST8 Q9BVC4 3/20 0.49
PARP1 P09874 1/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
AR P10275 1/20 0.41
CHRM4 P08173 3/20 0.40
TACR3 P29371 1/20 0.40
GPR6 P46095 1/20 0.40
FAAH O00519 1/20 0.40
HTR7 P34969 1/20 0.40
DRD4 P21917 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL20156786 0.94 MTOR (0.51) MTORRPTORMLST8PARP1DRD2
Trifluoroacetic Acid SCHEMBL20140610 0.87 MTOR (0.49) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140569 0.80 MTOR (0.51) MTORRPTORMLST8PARP1DRD2
SCHEMBL20142330 0.78 HTR6 (0.45) MTORRPTORMLST8PARP1DRD2
SCHEMBL20141863 0.76 MTOR (0.53) MTORRPTORMLST8PARP1DRD2
SCHEMBL20140044 0.75 MTOR (0.54) MTORRPTORMLST8PARP1DRD2
SCHEMBL20141431 0.75 TACR3 (0.48) MTORRPTORMLST8PARP1DRD2
SCHEMBL20141603 0.75 MTOR (0.51) MTORRPTORMLST8PARP1DRD2
SCHEMBL20139973 0.72 MTOR (0.57) MTORRPTORMLST8PARP1DRD2
SCHEMBL20156927 0.72 MTOR (0.47) MTORRPTORMLST8PARP1DRD2

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