SCHEMBL4313357

SCHEMBL4313357

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HDAC8 Q9BY41 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
HTT P42858 1/20 0.45

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
Hydrochloric Acid SCHEMBL4316272 0.99 SIGMAR1 (0.47) SIGMAR1POLBSMN1; SMN2HDAC8GLA
Hydrochloric Acid SCHEMBL4275544 0.99 SIGMAR1 (0.47) SIGMAR1POLBSMN1; SMN2HDAC8GLA
SCHEMBL4324685 0.83 POLB (0.46) POLBSMN1; SMN2
SCHEMBL4313545 0.83 POLB (0.46) POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4323505 0.83 POLB (0.45) POLBSMN1; SMN2
SCHEMBL4325390 0.80 SCN5A (0.50) SMN1; SMN2HTT
SCHEMBL2248284 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HDAC8KMT2AHTT
SCHEMBL4313360 0.77 SIGMAR1 (0.51) SIGMAR1SMN1; SMN2HTT
SCHEMBL1134596 0.77 F2RL1 (0.42) POLBSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL4316274 0.76 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2HTT

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