Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4026752

CC1CN(Cc2cccc3c2ccn3S(=O)(=O)c2ccc(F)cc2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=Cc1cccc2c1ccn2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 18/20 0.53
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
MLNR O43193 1/20 0.38
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 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 SCHEMBL4024854 0.89 HTR6 (0.64) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3617248 0.88 HTR6 (0.64) HTR6CYP3A4CYP2D6
SCHEMBL3617373 0.87 HTR6 (0.68) HTR6CYP3A4CYP2D6MLNR
Trifluoroacetic Acid SCHEMBL4019247 0.86 HTR6 (0.60) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4024567 0.84 HTR6 (0.71) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4021035 0.83 HTR6 (0.42) HTR6CYP3A4CYP2D6MLNR
Trifluoroacetic Acid SCHEMBL4022973 0.81 HTR6 (0.67) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3614458 0.81 HTR6 (0.48) HTR6CYP3A4CYP2D6MLNR
SCHEMBL3624430 0.80 HTR6 (0.74) HTR6CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3618923 0.80 HTR6 (0.70) HTR6CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed