SCHEMBL8670950

SCHEMBL8670950

NC1CCc2ccc3[nH]c(=O)c(=O)[nH]c3c2C1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
GRIA4 P48058 1/20 0.43
NR2E1 Q9Y466 1/20 0.40
HTR1B P28222 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL9231277 0.86 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL9093895 0.84 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4
Hydrochloric Acid SCHEMBL8667312 0.77 HTR1B (0.41) GRIA1GRIA2GRIA3GRIA4HTR1B
Hydrochloric Acid SCHEMBL8671588 0.76 HTR1D (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9091481 0.74 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL5917114 0.72 HTR1D (0.62) NR2E1HTR1B
SCHEMBL10487258 0.72 PLAU (0.41) NR2E1PLAU
SCHEMBL7987814 0.70 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4
SCHEMBL9092705 0.70 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4HTR1B
SCHEMBL9092692 0.70 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4

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
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