Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5732284

C=CC1CNCCN1c1ccc(C(F)(F)F)cc1Br.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
HTR2C P28335 6/20 0.42
HTR2A P28223 4/20 0.42
HTR2B P41595 3/20 0.42
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 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
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR6 P50406 2/20 0.36
TACR1 P25103 1/20 0.35
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
BACE1 P56817 2/20 0.33
FPR2 P25090 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM1A O60341 1/20 0.33

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 SCHEMBL5633107 1.00 HTR2C (0.42) HTR2CHTR2AHTR2BMAPTMEN1
SCHEMBL5632208 0.92 HTR2C (0.45) HTR2CHTR2AHTR2BMAPTMEN1
SCHEMBL5632634 0.92 HTR2C (0.45) HTR2CHTR2AHTR2BMAPTMEN1
SCHEMBL5632202 0.92 HTR2C (0.45) HTR2CHTR2AHTR2BMAPTMEN1
Trifluoroacetic Acid SCHEMBL5630462 0.85 ALDH1A1 (0.37) HTR2CHTR2AHTR2BALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5732644 0.85 ALDH1A1 (0.37) HTR2CHTR2AHTR2BALDH1A1GAA
Trifluoroacetic Acid SCHEMBL5632699 0.85 HTR2A (0.38) HTR2CHTR2AHTR2BMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL27649809 0.85 HTR2A (0.38) HTR2CHTR2AHTR2BMAPTALDH1A1
Trifluoroacetic Acid SCHEMBL5632499 0.85 KDM1A (0.36) HTR2CHTR2AHTR2BHTR6BACE1
Trifluoroacetic Acid SCHEMBL5632354 0.85 KDM1A (0.36) HTR2CHTR2AHTR2BHTR6BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1809545-A N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5HT2c ARENA PHARM INC (US) 2006-07-26 CN disclosed
EP-1644347-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT sb 2C /sb RECEPTOR ASSOCIATED DISEASES Arena Pharmaceuticals, Inc. (US) 2006-04-12 EP disclosed
WO-2005016902-A1 N-PHENYL-PIPERAZINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-02-24 WO disclosed