SCHEMBL4313360

SCHEMBL4313360

CCC[C@@H](CN)NCCCc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAAR1 Q96RJ0 1/20 0.46
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAOB P27338 2/20 0.43
CALM1 P0DP23 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 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
Hydrochloric Acid SCHEMBL4316274 0.99 SIGMAR1 (0.50) SIGMAR1HTTSMN1; SMN2TAAR1ADRB2
Hydrochloric Acid SCHEMBL4275546 0.99 SIGMAR1 (0.50) SIGMAR1HTTSMN1; SMN2TAAR1ADRB2
SCHEMBL4313357 0.77 SIGMAR1 (0.48) SIGMAR1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4275544 0.76 SIGMAR1 (0.47) SIGMAR1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL4316272 0.76 SIGMAR1 (0.47) SIGMAR1HTTSMN1; SMN2
SCHEMBL4325393 0.76 SCN5A (0.46) HTTSMN1; SMN2TAAR1CALM1TAS1R3
SCHEMBL29342459 0.76 SIGMAR1 (0.66) SIGMAR1HTTSMN1; SMN2TAAR1ADRB2
SCHEMBL275640 0.76 CHRM2 (0.59) SIGMAR1HTTSMN1; SMN2TAAR1ADRB2
SCHEMBL19498809 0.75 HTT (0.82) SIGMAR1HTTSMN1; SMN2ADRB2ADRB1
SCHEMBL6835324 0.74 CHRM2 (0.56) SIGMAR1HTTSMN1; SMN2TAAR1ADRB2

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