Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14966699

CS(=O)(=O)c1ccc(CC2CNC(=O)N2C2CCNCC2)c(F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.38
KCNH2 Q12809 3/20 0.38
DPP4 P27487 8/20 0.36
DPP7 Q9UHL4 7/20 0.36
CYP2D6 P10635 1/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CACNA1B Q00975 1/20 0.33
ELANE P08246 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GPR6 P46095 1/20 0.32
MDM2 Q00987 1/20 0.32

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 SCHEMBL14966447 0.86 HRH4 (0.31) GPR119HRH4HRH3
Trifluoroacetic Acid SCHEMBL16163342 0.79 GPR119 (0.38) GPR119KCNH2DPP4DPP7CYP2D6
Trifluoroacetic Acid SCHEMBL14966698 0.77 GPR119 (0.43) GPR119KCNH2DPP4DPP7CYP2D6
SCHEMBL5499551 0.76 PLAT (0.35) GPR119
SCHEMBL14966419 0.75 KCNH2 (0.43) GPR119KCNH2
Trifluoroacetic Acid SCHEMBL16163282 0.75 GPR119 (0.40) GPR119KCNH2DPP4DPP7CYP2D6
SCHEMBL16163343 0.71 GPR119 (0.36) GPR119KCNH2ELANE
SCHEMBL16169607 0.69 GPR119 (0.37) GPR119KCNH2CYP2D6ELANE
Trifluoroacetic Acid SCHEMBL15665857 0.69 GPR119 (0.56) GPR119KCNH2
Trifluoroacetic Acid SCHEMBL4436898 0.68 OPRM1 (0.52) KCNH2DPP4DPP7CYP2D6SLC6A4

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-2013074641-A1 PIPERIDINYL- SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-23 WO disclosed