SCHEMBL4331063

SCHEMBL4331063

N=C(N)N[C@@H](CC1CCCCC1)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
EPHX1 P07099 1/20 0.39
CHRNB2 P17787 6/20 0.39
CHRNB4 P30926 6/20 0.39
CHRNA3 P32297 6/20 0.39
CHRNA4 P43681 6/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRM1 Q13255 3/20 0.39
CPB2 Q96IY4 2/20 0.39
SPHK1 Q9NYA1 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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 SCHEMBL4334895 0.90 MMP1 (0.42) HPGDSMMP1MMP2MMP3GRN
SCHEMBL21101775 0.87 MMP1 (0.44) HPGDSMMP1MMP2MMP3GRN
SCHEMBL13735669 0.82 MMP1 (0.47) HPGDSMMP1MMP2MMP3GRN
SCHEMBL13710937 0.79 CTSK (0.42) MMP1MMP2MMP3GRNSORT1
SCHEMBL3617417 0.79 CTSK (0.42) MMP1MMP2MMP3GRNSORT1
SCHEMBL8337764 0.79 GRN (0.46) HPGDSMMP1MMP2MMP3GRN
SCHEMBL13711061 0.79 CTSK (0.42) MMP1MMP2MMP3GRNSORT1
SCHEMBL26904745 0.78 CHRNB2 (0.55) MMP1MMP2MMP3CHRNB2CHRNB4
SCHEMBL15840387 0.78 MMP1 (0.42) HPGDSMMP1MMP2MMP3GRN
SCHEMBL18435239 0.77 CTSK (0.44) MMP1MMP2MMP3EPHX1CPB2

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