Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4563355

C1=COc2ccc3[nH]ccc3c2C=N1.CC1NCCOc2ccc3c(ccn3S(=O)(=O)c3cccnc3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
HTR6 P50406 1/20 0.30

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 SCHEMBL1999647 0.85 HTR6 (0.40) DRD2DRD3HTR6
SCHEMBL1997008 0.79 HTR6 (0.43) DRD2DRD3HTR6
Trifluoroacetic Acid SCHEMBL4410635 0.72 HTR6 (0.42) DRD2DRD3HTR6
Trifluoroacetic Acid SCHEMBL1994879 0.72 KDM4E (0.36) HTR6
SCHEMBL1995653 0.72 HTR6 (0.54) DRD2DRD3HTR6
SCHEMBL1996842 0.72 HTR6 (0.54) DRD2DRD3HTR6
SCHEMBL1999301 0.72 HTR6 (0.54) DRD2DRD3HTR6
Trifluoroacetic Acid SCHEMBL1994435 0.70 HTR6 (0.44) DRD2DRD3HTR6
Diamide SCHEMBL4711990 0.67 HTR6 (0.46) DRD2DRD3HTR6
Trifluoroacetic Acid SCHEMBL4421387 0.65

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