Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL27629664

CC1CNCCN1c1cccc(C#N)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
NOTUM Q6P988 2/20 0.44
RAD52 P43351 1/20 0.39
ALOX5 P09917 1/20 0.38
LCAT P04180 1/20 0.38
HTR2C P28335 3/20 0.38
HTR2A P28223 2/20 0.38
HTR2B P41595 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
DRD4 P21917 2/20 0.37
NSD2 O96028 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC2A1 P11166 1/20 0.36
GPR6 P46095 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
Trifluoroacetic Acid SCHEMBL5631489 1.00 DRD2 (0.46) DRD2DRD3NOTUMRAD52ALOX5
Trifluoroacetic Acid SCHEMBL3847590 0.80 DRD2 (0.74) DRD2DRD3NOTUMLCATHTR2C
Trifluoroacetic Acid SCHEMBL5632214 0.79 RAD52 (0.44) RAD52HTR2CHTR2ADPP4DPP9
SCHEMBL6839730 0.79 DRD2 (0.52) DRD2DRD3NOTUMALOX5HTR2C
Trifluoroacetic Acid SCHEMBL5633122 0.77 PKM (0.40) RAD52HTR2CHTR2AHTR2BDPP4
Trifluoroacetic Acid SCHEMBL5631915 0.77 PKM (0.40) RAD52HTR2CHTR2AHTR2BDPP4
Trifluoroacetic Acid SCHEMBL5471477 0.77 DPP4 (0.46) LCATHTR2CHTR2ACHRM2CHRM1
SCHEMBL5632538 0.74 HTR2C (0.58) RAD52ALOX5HTR2CHTR2AHTR2B
SCHEMBL5631654 0.74 HTR2C (0.58) RAD52ALOX5HTR2CHTR2AHTR2B
SCHEMBL5632981 0.74 HTR2C (0.58) RAD52ALOX5HTR2CHTR2AHTR2B

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
CN-1809545-A N-phenyl-piperazine derivatives and methods of prophylaxis or treatment of 5HT2c ARENA PHARM INC (US) 2006-07-26 CN disclosed