Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20140703

Cc1cc(CCCN)c(C(=O)N2CCN(c3ccc(F)cn3)C[C@H]2C)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 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.42
MTOR P42345 2/20 0.42
RPTOR Q8N122 2/20 0.42
MLST8 Q9BVC4 2/20 0.42
CHRM1 P11229 6/20 0.40
PPARG P37231 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CHRM2 P08172 6/20 0.37
GRM1 Q13255 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
CHRM5 P08912 1/20 0.35

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
SCHEMBL20156856 0.96 MTOR (0.44) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20156876 0.96 MTOR (0.44) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20156877 0.96 MTOR (0.44) CHRM4MTORRPTORMLST8CHRM1
Trifluoroacetic Acid SCHEMBL20139882 0.91 MTOR (0.47) CHRM4MTORRPTORMLST8CHRM1
Trifluoroacetic Acid SCHEMBL20140845 0.89 CHRM4 (0.45) CHRM4MTORRPTORMLST8CHRM1
Trifluoroacetic Acid SCHEMBL20141565 0.89 CHRM4 (0.45) CHRM4MTORRPTORMLST8CHRM1
Trifluoroacetic Acid SCHEMBL20141567 0.89 CHRM4 (0.45) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20140070 0.87 MTOR (0.47) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20140048 0.87 MTOR (0.47) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20140046 0.87 MTOR (0.47) CHRM4MTORRPTORMLST8CHRM1

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