SCHEMBL7983673

SCHEMBL7983673

O=C(c1ccc(Cl)cc1)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.59
GRIA2 P42262 4/20 0.59
GRIA3 P42263 4/20 0.59
GRIA4 P48058 4/20 0.59
MTHFD2 P13995 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MGLL Q99685 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
SCHEMBL7983843 0.90 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4MTHFD2
SCHEMBL7970099 0.85 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7980231 0.77 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4ALDH1A1
Benzamide SCHEMBL8472482 0.77 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4MTHFD2
SCHEMBL7984623 0.77 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8477906 0.77 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8474636 0.77 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4MTHFD2
SCHEMBL8476223 0.75 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4
SCHEMBL678318 0.75 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL29798454 0.75 GRIA1 (1.00) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 US claimed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO claimed
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US disclosed
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 US disclosed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO disclosed