SCHEMBL4332338

SCHEMBL4332338

CCC[C@H](NC(=N)N)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL4320796 1.00 CA1 (0.36) CA1CA2HDAC7HDAC8HDAC6
SCHEMBL7719713 1.00 CA1 (0.36) CA1CA2HDAC7HDAC8HDAC6
Hydrochloric Acid SCHEMBL6758326 0.98 CA1 (0.35) CA1CA2HDAC7HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL4334998 0.88 CA12 (0.40) CA1CA2CA12CA9CTSS
Trifluoroacetic Acid SCHEMBL4324189 0.88 CA12 (0.40) CA1CA2CA12CA9CTSS
Trifluoroacetic Acid SCHEMBL6762932 0.88 CA12 (0.40) CA1CA2CA12CA9CTSS
SCHEMBL30678658 0.86 FPR2 (0.44) CA2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2107300 0.86 FPR2 (0.44) CA2CHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL368540 0.84 FPR2 (0.43) CA2CHRM1AKR1A1CHRM3HTR2A
Hydrochloric Acid SCHEMBL312730 0.84 FPR2 (0.43) CA2CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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