SCHEMBL4320178

SCHEMBL4320178

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.47
KCNH2 Q12809 2/20 0.47
EPOR P19235 8/20 0.47
EGFR P00533 1/20 0.45
ERBB2 P04626 1/20 0.45
LTA4H P09960 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
REN P00797 1/20 0.43

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 SCHEMBL4320181 0.87 CHRM4 (0.48) CHRM4KCNH2EPORLTA4HHDAC1
SCHEMBL4327986 0.86 KCNH2 (0.45) CHRM4KCNH2EPOREGFRERBB2
SCHEMBL4320373 0.85 EPOR (0.52) CHRM4KCNH2EPORLTA4HHDAC1
Trifluoroacetic Acid SCHEMBL4320176 0.83 LTA4H (0.53) CHRM4KCNH2EPORLTA4HHDAC1
Trifluoroacetic Acid SCHEMBL1134632 0.82 KCNH2 (0.67) CHRM4KCNH2EPORREN
SCHEMBL4320367 0.81 LTA4H (0.59) CHRM4KCNH2EPORLTA4HHDAC1
SCHEMBL1134581 0.80 KCNH2 (0.72) CHRM4KCNH2EPOR
Trifluoroacetic Acid SCHEMBL4327980 0.78 PPARG (0.45) CHRM4KCNH2EPOR
SCHEMBL4327817 0.75 EPOR (0.55) EPORLTA4H
SCHEMBL4325933 0.74 EPOR (0.48) CHRM4KCNH2EPORHDAC1HDAC7

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