SCHEMBL6137801

SCHEMBL6137801

NC(=NCCCc1ncc[nH]1)NC(=O)c1ccco1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 8/20 0.62
SCN2A Q99250 8/20 0.62
HRH4 Q9H3N8 3/20 0.56
MALT1 Q9UDY8 1/20 0.43
SCNN1A P37088 1/20 0.41
HRH2 P25021 3/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PKM P14618 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
SCHEMBL4628720 0.81 SCN5A (0.93) SCN5ASCN2ASCNN1A
SCHEMBL8003305 0.73 HRH4 (0.49) HRH4HRH2HRH3
SCHEMBL4627543 0.72 SMN1; SMN2 (0.64) SCN5ASCN2AHRH4
SCHEMBL28337263 0.71 TBXAS1 (0.47) HRH4PKM
SCHEMBL4627536 0.71 SCN5A (0.64) SCN5ASCN2AMALT1
Sulfuric Acid SCHEMBL11660447 0.70 HRH4 (0.47) HRH4HRH2HRH3
SCHEMBL8619886 0.67 HRH4 (0.61) HRH4HRH3
SCHEMBL11781626 0.66 RAB9A (0.56) PKM
SCHEMBL29073999 0.65 CA2 (0.53) SCN5ASCN2APKM
SCHEMBL4763275 0.65 TBXAS1 (0.65) HRH4

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
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO disclosed