Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20141567

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2C)cc1CN1CCN(c2ccccc2CCCN)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.45
CHRM1 P11229 12/20 0.44
PPARG P37231 1/20 0.40
GRM1 Q13255 1/20 0.39
MTOR P42345 1/20 0.38
RPTOR Q8N122 1/20 0.38
MLST8 Q9BVC4 1/20 0.38
CHRM2 P08172 6/20 0.38
CHRM3 P20309 3/20 0.37
HDAC1 Q13547 2/20 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
Trifluoroacetic Acid SCHEMBL20140845 1.00 CHRM4 (0.45) CHRM4CHRM1PPARGGRM1MTOR
Trifluoroacetic Acid SCHEMBL20141565 1.00 CHRM4 (0.45) CHRM4CHRM1PPARGGRM1MTOR
SCHEMBL20140732 0.96 CHRM1 (0.47) CHRM4CHRM1PPARGGRM1MTOR
SCHEMBL20157507 0.96 CHRM1 (0.47) CHRM4CHRM1PPARGGRM1MTOR
Trifluoroacetic Acid SCHEMBL20140703 0.89 CHRM4 (0.42) CHRM4CHRM1PPARGGRM1MTOR
SCHEMBL20157415 0.85 PPARG (0.42) CHRM1PPARG
SCHEMBL20156856 0.85 MTOR (0.44) CHRM4CHRM1GRM1MTORRPTOR
SCHEMBL20156876 0.85 MTOR (0.44) CHRM4CHRM1GRM1MTORRPTOR
SCHEMBL20156877 0.85 MTOR (0.44) CHRM4CHRM1GRM1MTORRPTOR
SCHEMBL20140054 0.85 CHRM1 (0.42) CHRM4CHRM1PPARGGRM1MTOR

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