Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5505634

O=C(O)C(F)(F)F.O=C1C(CCc2ccc(-c3cccnc3)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
CNR1 P21554 1/20 0.39
HSD11B1 P28845 1/20 0.39
BACE1 P56817 2/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
DYRK1A Q13627 5/20 0.37
WNT1 P04628 4/20 0.37
MKNK1 Q9BUB5 2/20 0.37
MKNK2 Q9HBH9 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MET P08581 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
MCHR1 Q99705 1/20 0.36

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
SCHEMBL5507832 0.92 CNR1 (0.43) CCR5CNR1HSD11B1BACE1DYRK1A
SCHEMBL3001080 0.86 HSD11B1 (0.48) CCR5CNR1HSD11B1BACE1MKNK1
Hydrochloric Acid SCHEMBL3997563 0.85 HSD11B1 (0.47) CCR5CNR1HSD11B1BACE1MKNK1
SCHEMBL2994371 0.81 CNR1 (0.43) CCR5CNR1HSD11B1BACE1MKNK1
Trifluoroacetic Acid SCHEMBL2992920 0.80 DPP4 (0.44) CCR5DPP4DPP7CNR1BACE1
SCHEMBL2996682 0.79 MKNK1 (0.39) CCR5CNR1HSD11B1F10MKNK1
SCHEMBL2996439 0.79 MKNK1 (0.39) CCR5CNR1HSD11B1F10MKNK1
Hydrochloric Acid SCHEMBL3882202 0.78 MKNK1 (0.39) CCR5CNR1HSD11B1F10MKNK1
Hydrochloric Acid SCHEMBL3882198 0.78 MKNK1 (0.39) CCR5CNR1HSD11B1F10MKNK1
SCHEMBL2995109 0.77 MKNK1 (0.38) CCR5CNR1HSD11B1F10MKNK1

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-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed