Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4320181

NC[C@@H](N)CCCCNC(=O)Cc1ccc(OCc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.48
KCNH2 Q12809 2/20 0.47
EPOR P19235 6/20 0.47
REN P00797 1/20 0.46
CHRNA1 P02708 2/20 0.46
CHRNG P07510 2/20 0.46
CHRNB1 P11230 2/20 0.46
CHRND Q07001 2/20 0.46
LTA4H P09960 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45

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
SCHEMBL4320373 0.94 EPOR (0.52) CHRM4KCNH2EPORCHRNA1CHRNG
Trifluoroacetic Acid SCHEMBL4320176 0.88 LTA4H (0.53) CHRM4KCNH2EPORRENLTA4H
SCHEMBL4320178 0.87 CHRM4 (0.47) CHRM4KCNH2EPORRENLTA4H
SCHEMBL4327817 0.84 EPOR (0.55) EPORLTA4H
Hydrochloric Acid SCHEMBL4279930 0.83 EPOR (0.54) EPORLTA4H
Trifluoroacetic Acid SCHEMBL4327980 0.82 PPARG (0.45) CHRM4KCNH2EPOR
SCHEMBL4320367 0.81 LTA4H (0.59) CHRM4KCNH2EPORLTA4HHDAC1
Trifluoroacetic Acid SCHEMBL1134632 0.81 KCNH2 (0.67) CHRM4KCNH2EPORREN
SCHEMBL4327986 0.77 KCNH2 (0.45) CHRM4KCNH2EPORHDAC1HDAC7
SCHEMBL1134581 0.75 KCNH2 (0.72) CHRM4KCNH2EPOR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664228-B2 3,5-diamino-6-chloro-pyrazine-2-carboxylic acid derivatives and their use as epithelial sodium channel blockers for the treatment of airway diseases NOVARTIS AG (CH) 2014-03-04 US disclosed
EP-2285785-B1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2012-09-05 EP disclosed
WO-2009138378-A1 3,5-DIAMINO-6-CHLORO-PYRAZINE-2-CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS EPITHELIAL SODIUM CHANNEL BLOCKERS FOR THE TREATMENT OF ARWAY DISEASES NOVARTIS AG (CH) 2009-11-19 WO disclosed