SCHEMBL4332341

SCHEMBL4332341

COc1ccc(CCCC(N)C(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.51
ALOX5 P09917 1/20 0.51
F2RL1 P55085 1/20 0.49
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
LDHA P00338 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46

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 SCHEMBL4313499 0.91 KDM4E (0.47) CALM1ALOX5ALOX15LDHAPLAAT3
SCHEMBL28463183 0.88 KIF11 (0.55) CALM1ALOX5F2RL1ALDH1A1LDHA
SCHEMBL2926805 0.88 KIF11 (0.55) CALM1ALOX5F2RL1ALDH1A1LDHA
SCHEMBL1238414 0.88 KIF11 (0.55) CALM1ALOX5F2RL1ALDH1A1LDHA
SCHEMBL10419544 0.83 KIF11 (0.53) CALM1ALOX5F2RL1ALDH1A1IGF1R
SCHEMBL28463907 0.83 KIF11 (0.53) CALM1ALOX5F2RL1ALDH1A1IGF1R
SCHEMBL28463903 0.83 KIF11 (0.53) CALM1ALOX5F2RL1ALDH1A1IGF1R
SCHEMBL10420495 0.82 KIF11 (0.52) CALM1ALOX5F2RL1IGF1RALOX15
SCHEMBL28467284 0.82 KIF11 (0.52) CALM1ALOX5F2RL1IGF1RALOX15
SCHEMBL28469542 0.82 KIF11 (0.52) CALM1ALOX5F2RL1IGF1RALOX15

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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