SCHEMBL7703657

SCHEMBL7703657

CC(C)(C)OC(=O)Nc1cc(N2CCSC(=O)C2=O)c(C#Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 7/20 0.32
MAPT P10636 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 2/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
CNR2 P34972 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30

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
SCHEMBL7700536 0.88 GRM5 (0.36) GRM5ALDH1A1MAPTHTTMAPK1
SCHEMBL7147535 0.86 GRM5 (0.40) GRM5ALDH1A1MAPTNPSR1HTT
SCHEMBL7145867 0.83 WDR5 (0.44) GRM5ALDH1A1MAPTMAPK1NPC1
SCHEMBL7140578 0.82 ALDH1A1 (0.47) ALDH1A1MAPTMAPK1RAB9ASMN1; SMN2
SCHEMBL7703083 0.82 ALDH1A1 (0.33) ALDH1A1MAPTNPSR1HTTMAPK1
SCHEMBL7139831 0.81 GRM5 (0.39) GRM5ALDH1A1MAPTNPSR1HTT
SCHEMBL7142627 0.80 GRM5 (0.38) GRM5ALDH1A1MAPTNPSR1HTT
SCHEMBL7145991 0.79 ALDH1A1 (0.44) GRM5ALDH1A1MAPTHTTMAPK1
SCHEMBL7140140 0.78 MAPT (0.43) ALDH1A1MAPTHTTMAPK1NPC1
SCHEMBL7142921 0.77 NPC1 (0.39) ALDH1A1MAPTHTTMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed