Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1246785

CC(C)c1nc(C(=O)N2CCOC3(CCN(CCc4ccc(CCOCCC(N)=O)cc4)CC3)C2)cs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 17/20 0.59
CHRM3 P20309 17/20 0.59
EPHX2 P34913 3/20 0.33

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
SCHEMBL1246087 0.90 CHRM2 (0.66) CHRM2CHRM3
SCHEMBL1246858 0.90 CHRM2 (0.64) CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL1246818 0.89 CHRM2 (0.62) CHRM2CHRM3EPHX2
Sulfuric Acid SCHEMBL1246829 0.87 CHRM2 (0.62) CHRM2CHRM3
SCHEMBL1246047 0.87 CHRM2 (0.61) CHRM2CHRM3
SCHEMBL1246042 0.85 CHRM2 (0.61) CHRM2CHRM3
Trifluoroacetic Acid SCHEMBL1246078 0.85 CHRM2 (0.60) CHRM2CHRM3
SCHEMBL1244873 0.85 CHRM2 (0.67) CHRM2CHRM3
SCHEMBL1246821 0.84 CHRM2 (0.58) CHRM2CHRM3EPHX2
Trifluoroacetic Acid SCHEMBL1246054 0.84 CHRM2 (0.55) CHRM2CHRM3EPHX2

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-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 EP disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 WO disclosed