Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4059182

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCCCN(C)C)CC5)CCCC4)c3Cl)c2n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 20/20 0.79

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
SCHEMBL4234674 0.96 BDKRB2 (0.85) BDKRB2
SCHEMBL4234676 0.96 BDKRB2 (0.85) BDKRB2
Triaziquone SCHEMBL4059177 0.93 BDKRB2 (0.69) BDKRB2
Trifluoroacetic Acid SCHEMBL4503209 0.93 BDKRB2 (0.73) BDKRB2
Trifluoroacetic Acid SCHEMBL4066566 0.92 BDKRB2 (0.93) BDKRB2
Trifluoroacetic Acid SCHEMBL4066585 0.91 BDKRB2 (0.67) BDKRB2
Trifluoroacetic Acid SCHEMBL4057523 0.90 BDKRB2 (0.66) BDKRB2
Trifluoroacetic Acid SCHEMBL4064245 0.89 BDKRB2 (0.93) BDKRB2
Trifluoroacetic Acid SCHEMBL4064249 0.89 BDKRB2 (0.93) BDKRB2
SCHEMBL4239239 0.88 BDKRB2 (1.00) BDKRB2

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-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP claimed
EP-1513531-B1 BASIC NON-PEPTIDE BRADYKININ ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREFROM MENARINI RICERCHE SPA (IT) 2009-10-21 EP disclosed