SCHEMBL6846356

SCHEMBL6846356

CSc1ccc(Cl)c(NC(=N)N(C)c2cccc([S@+](C)[O-])c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.44
GRIN3B O60391 3/20 0.44
GRIN1 Q05586 3/20 0.44
GRIN2A Q12879 3/20 0.44
GRIN2B Q13224 3/20 0.44
GRIN2C Q14957 3/20 0.44
GRIN3A Q8TCU5 3/20 0.44
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL499303 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL499302 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7743328 0.99 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL29370312 0.89 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL499356 0.89 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Cns-5161 SCHEMBL6420655 0.87 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2593943 0.85 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14126031 0.84 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6847040 0.84 P2RX7 (0.37) MAPTMEN1ALDH1A1HTTKMT2A
SCHEMBL6717121 0.83 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP claimed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP claimed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO claimed
US-6774263-B1 N-(2-CHLORO-5-METHYLTHIOPHENYL)-N'-(3-METHYLSULFINYLPHENYL)-N' -METHYLGUANIDINE; NEURODEGENERATIVE DISORDER TREATMENT CAMBRIDGE NEUROSCIENCE, INC. 2004-08-10 US disclosed
EP-1041986-A4 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2001-03-21 EP disclosed
EP-1041986-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-10-11 EP disclosed
WO-1999018962-A1 PHARMACEUTICALLY ACTIVE COMPOUND AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-22 WO disclosed