Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30201532

NC1C[C@H]2CC[C@@H](C1)N2Cc1cnccn1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
DPP9 Q86TI2 2/20 0.41
KCNH2 Q12809 9/20 0.38
OPRK1 P41145 7/20 0.38
OPRM1 P35372 3/20 0.38
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MGLL Q99685 1/20 0.33
VNN1 O95497 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 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
SCHEMBL30833200 0.87 OPRK1 (0.37) DPP4KCNH2OPRK1OPRM1VNN1
Trifluoroacetic Acid SCHEMBL30201424 0.83 OPRM1 (0.52) DPP4DPP8DPP7DPP9KCNH2
Trifluoroacetic Acid SCHEMBL30201381 0.80 KCNH2 (0.53) KCNH2OPRK1OPRM1KDM4EF2
Trifluoroacetic Acid SCHEMBL30201435 0.79 LTA4H (0.49) KCNH2OPRK1OPRM1KDM4EF2
Trifluoroacetic Acid SCHEMBL30201373 0.76 ARG1 (0.38) KCNH2OPRK1OPRM1HRH4HRH3
Trifluoroacetic Acid SCHEMBL30201500 0.76 CYP3A4 (0.39) DPP4DPP7CYP2D6HRH4HRH3
Trifluoroacetic Acid SCHEMBL31622406 0.75 ARG1 (0.37) KCNH2OPRK1OPRM1HRH4HRH3
Trifluoroacetic Acid SCHEMBL30201522 0.75 ARG1 (0.37) KCNH2OPRK1OPRM1HRH4HRH3
Trifluoroacetic Acid SCHEMBL30201490 0.74 ARG1 (0.35) KCNH2OPRK1OPRM1HRH4HRH3
Trifluoroacetic Acid SCHEMBL30201583 0.73 LTA4H (0.48) DPP4KCNH2OPRK1OPRM1

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
WO-2023009330-A1 SEROTONIN 5-HT2B INHIBITORY COMPOUNDS ZOETIS SERVICES LLC (US) 2023-02-02 WO disclosed