SCHEMBL4313545

SCHEMBL4313545

CCC[C@@H](NC(=N)NCCCc1ccc(OC)cc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALB P02768 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
SCHEMBL4324685 1.00 POLB (0.46) POLBITGB3ITGA2BSMN1; SMN2ALB
Hydrochloric Acid SCHEMBL4323505 0.99 POLB (0.45) POLBITGB3ITGA2BSMN1; SMN2ALB
SCHEMBL4318718 0.85 S1PR1 (0.41) ALB
SCHEMBL4313357 0.83 SIGMAR1 (0.48) POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4316272 0.82 SIGMAR1 (0.47) POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4275544 0.82 SIGMAR1 (0.47) POLBSMN1; SMN2
SCHEMBL4325390 0.79 SCN5A (0.50) ITGB3ITGA2BSMN1; SMN2
SCHEMBL4315305 0.77 TAS1R3 (0.41) POLBITGB3ITGA2B
SCHEMBL17198983 0.76 CALM1 (0.51) POLBSMN1; SMN2
SCHEMBL17198866 0.75 POLB (0.55) POLBSMN1; SMN2

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 4 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
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