Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20139882

Cc1cc(CCCN)c(C(=O)N2CCN(c3ccccc3C#N)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.47
RPTOR Q8N122 3/20 0.47
MLST8 Q9BVC4 3/20 0.47
CHRM4 P08173 7/20 0.41
CHRM2 P08172 7/20 0.41
GRM1 Q13255 1/20 0.41
CHRM1 P11229 6/20 0.39
CHRM5 P08912 3/20 0.39
AR P10275 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL20157204 0.95 MTOR (0.49) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20156980 0.95 MTOR (0.49) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20157138 0.95 MTOR (0.49) MTORRPTORMLST8CHRM4CHRM2
Trifluoroacetic Acid SCHEMBL20140703 0.91 CHRM4 (0.42) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20140650 0.88 MTOR (0.48) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20156955 0.88 MTOR (0.48) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20140592 0.88 MTOR (0.48) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20140242 0.87 MTOR (0.46) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20156877 0.86 MTOR (0.44) MTORRPTORMLST8CHRM4CHRM2
SCHEMBL20156876 0.86 MTOR (0.44) MTORRPTORMLST8CHRM4CHRM2

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