SCHEMBL4324683

SCHEMBL4324683

CCC[C@@H](C(N)=O)N(CCCc1ccc(OC)cc1)C(=N)N

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.41
AOC3 Q16853 1/20 0.40
CALM1 P0DP23 1/20 0.40

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
SCHEMBL4313541 1.00 ALOX5 (0.43) ALOX5ALDH1A1KMT2AEPHX1AOC3
Hydrochloric Acid SCHEMBL4323499 0.99 ALOX5 (0.42) ALOX5ALDH1A1KMT2AEPHX1AOC3
Trifluoroacetic Acid SCHEMBL4315300 0.94 KDM4E (0.42) ALOX5ALDH1A1KMT2AEPHX1
SCHEMBL4318709 0.84 S1PR1 (0.43) ALDH1A1
Hydrochloric Acid SCHEMBL4318130 0.83 S1PR1 (0.42) ALDH1A1KMT2A
SCHEMBL4313357 0.71 SIGMAR1 (0.48) KMT2A
SCHEMBL4313545 0.70 POLB (0.46)
SCHEMBL4324685 0.70 POLB (0.46)
SCHEMBL4332341 0.70 CALM1 (0.51) ALOX5ALDH1A1CALM1
SCHEMBL933944 0.70 LDHA (0.54) ALDH1A1KMT2AEPHX1

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