SCHEMBL8668931

SCHEMBL8668931

O=C(Nc1ccccc1)NC1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 5/20 0.44
GRIA2 P42262 5/20 0.44
GRIA3 P42263 5/20 0.44
GRIA4 P48058 5/20 0.44
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
EPHX1 P07099 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EPHX2 P34913 1/20 0.40
APP P05067 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8667341 0.87 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8671733 0.84 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4MEN1
SCHEMBL8668928 0.83 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8668562 0.82 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL8673721 0.81 ALDH1A1 (0.46) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8669904 0.81 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4EPHX2
SCHEMBL9232977 0.80 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4APP
Hydrochloric Acid SCHEMBL8671333 0.80 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL8669247 0.78 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4MAPT
SCHEMBL9235550 0.78 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4MAPT

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-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO claimed
US-5721234-A TREATING CONVULSIONS, ANXIETY, CEREBRAL HYPOXIA/ISCHEMIA, PARKINSON*S DISEASE WARNER-LAMBERT COMPANY (US) 1998-02-24 US disclosed
WO-1996017832-A1 NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-06-13 WO disclosed