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Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4410635

CC1NCCOc2ccc3c(ccn3S(=O)(=O)c3ccccc3)c21.CC1c2c(ccc3c2ccn3S(=O)(=O)c2ccccc2)OCCN1C.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 20/20 0.42
▸ DRD2 P14416 5/20 0.42
▸ DRD3 P35462 5/20 0.42
▸ HTR1A P08908 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 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
Trifluoroacetic Acid SCHEMBL1996241 0.93 HTR6 (0.43) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1999301 0.85 HTR6 (0.54) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1995653 0.85 HTR6 (0.54) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1996842 0.85 HTR6 (0.54) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1995765 0.85 HTR6 (0.48) HTR6DRD2DRD3HTR1AHTR2A
Trifluoroacetic Acid SCHEMBL1999647 0.85 HTR6 (0.40) HTR6DRD2DRD3
Trifluoroacetic Acid SCHEMBL1994435 0.82 HTR6 (0.44) HTR6DRD2DRD3HTR2ACYP3A4
Diamide SCHEMBL4711990 0.80 HTR6 (0.46) HTR6DRD2DRD3HTR1A
SCHEMBL1997460 0.79 HTR6 (0.41) HTR6DRD2DRD3HTR1AHTR2A
SCHEMBL1999661 0.77 HTR6 (0.46) HTR6DRD2DRD3HTR1AHTR2A

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-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 — — EP disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 — — WO disclosed