Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL381484

O=C(O)C(F)(F)F.O=C1[C@H](Cc2c(Cl)cc(-c3ccc(C(F)(F)F)cc3)cc2Cl)CCN1C1CCNCC1

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 9/20 0.37
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ADRA2B P18089 4/20 0.35
SIGMAR1 Q99720 4/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
OPRD1 P41143 2/20 0.35
HSD11B1 P28845 1/20 0.35
DRD5 P21918 4/20 0.35
TMEM97 Q5BJF2 4/20 0.35
ADRB3 P13945 3/20 0.35
DRD1 P21728 3/20 0.35
SLC6A2 P23975 3/20 0.35
ADRA1B P35368 3/20 0.35
HTR1A P08908 2/20 0.35
AGTR1 P30556 2/20 0.35
DRD3 P35462 2/20 0.35
SLC6A3 Q01959 2/20 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
Trifluoroacetic Acid SCHEMBL381532 0.93 PRCP (0.38) DPP4DPP8DPP7HSD11B1CHRM2
Trifluoroacetic Acid SCHEMBL381380 0.92 TP53 (0.39) P2RY14DPP4DPP8DPP7HSD11B1
Trifluoroacetic Acid SCHEMBL380865 0.90 S1PR5 (0.38) HSD11B1MCHR1P2RX7PLAT
Trifluoroacetic Acid SCHEMBL381863 0.89 AKR1C2 (0.41) P2RY14HSD11B1DRD3PTGS2CHRM2
Trifluoroacetic Acid SCHEMBL381517 0.89 PAX8 (0.35) P2RY14DPP4DPP8DPP7HSD11B1
Trifluoroacetic Acid SCHEMBL380699 0.87 FFAR4 (0.35) DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL381171 0.85 P2RX7 (0.40) DPP4DPP7HSD11B1SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL380667 0.85 RAD52 (0.39) ADRA2CSLC6A2SLC6A3SLC6A4CHRM2
Trifluoroacetic Acid SCHEMBL381002 0.85 L3MBTL1 (0.39) HSD11B1F10KCNH2
SCHEMBL3564422 0.84 HTR2A (0.43) HSD11B1HTR1ACHRM2HTR7FPR2

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-2049513-B1 PIPERIDINYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2012-01-25 EP disclosed
US-7829582-B2 Piperidinyl substituted pyrrolidinones as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND COMPANY (US) 2010-11-09 US disclosed