Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4699162

CCOC(=O)CNC(=O)NCc1ccc(CN(C(=O)C(c2ccccc2)c2ccccc2)[C@H](CCCNC(=N)N)C(N)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPID Q08752 5/20 0.45
PPIB P23284 1/20 0.44
PPIA P62937 1/20 0.44
PPIG Q13427 1/20 0.44
NPY1R P25929 15/20 0.42
NPFFR1 Q9GZQ6 2/20 0.42

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
SCHEMBL6895115 0.96 PPID (0.48) PPIDPPIBPPIAPPIGNPY1R
SCHEMBL7123147 0.96 PPID (0.48) PPIDPPIBPPIAPPIGNPY1R
Trifluoroacetic Acid SCHEMBL7040972 0.91 NPY1R (0.38) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL7038182 0.91 NPY1R (0.43) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL8527977 0.91 NPY1R (0.43) NPY1R
Trifluoroacetic Acid SCHEMBL7044926 0.89 NPY1R (0.42) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL8528581 0.87 NPY1R (0.39) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL7043313 0.87 NPY1R (0.44) NPY1RNPFFR1
Trifluoroacetic Acid SCHEMBL649619 0.87 NPY1R (0.43) NPY1R
Trifluoroacetic Acid SCHEMBL7045238 0.87 NPY1R (0.43) NPY1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458684-B1 THERAPEUTIC HETEROCYCLES AS BRADYKININ B2 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-01-16 EP disclosed
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 EP disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed