Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3836980

O=C(CC1CCCCC1)Nc1c(Cl)ccc2nc(N3CCC[C@@H]3C(=O)O)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.52
MCHR1 Q99705 2/20 0.40
CSNK1D P48730 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNJ11 Q14654 1/20 0.38
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AADAT Q8N5Z0 2/20 0.36
EPHX2 P34913 1/20 0.36
SYK P43405 1/20 0.36
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
ROCK2 O75116 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
SCHEMBL1804659 0.95 P2RX7 (0.57) P2RX7MCHR1KMT2AHSD11B1L3MBTL1
SCHEMBL3843290 0.85 P2RX7 (0.53) P2RX7MCHR1CSNK1DKCNJ11L3MBTL1
Trifluoroacetic Acid SCHEMBL3842236 0.82 P2RX7 (0.58) P2RX7
SCHEMBL5098673 0.82 P2RX7 (0.57) P2RX7KMT2AL3MBTL1EPHX2KCNQ3
SCHEMBL1803211 0.81 P2RX7 (0.54) P2RX7KMT2AL3MBTL1EPHX2KCNQ3
Trifluoroacetic Acid SCHEMBL3843940 0.81 P2RX7 (0.60) P2RX7CSNK1DKMT2AKCNJ11L3MBTL1
SCHEMBL1801178 0.79 P2RX7 (0.59) P2RX7KMT2AL3MBTL1EPHX2KCNQ3
SCHEMBL1805833 0.79 P2RX7 (0.58) P2RX7HSD11B1L3MBTL1EPHX2KCNQ3
SCHEMBL3843656 0.79 P2RX7 (0.51) P2RX7
SCHEMBL1806664 0.78 P2RX7 (0.59) P2RX7HSD11B1L3MBTL1EPHX2KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633717-B1 P2X7 RECEPTOR ANTAGONISTS AND THEIR USE ASTRAZENECA AB (SE) 2009-10-28 EP claimed