SCHEMBL7983577

SCHEMBL7983577

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCc3c([N+](=O)[O-])cc4[nH]c(=O)c(=O)[nH]c4c3C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.54
GRIA2 P42262 4/20 0.54
GRIA3 P42263 4/20 0.54
GRIA4 P48058 4/20 0.54
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL7970039 0.80 HPGD (0.46) HPGDRECQLKDM4EMAPTTHRB
SCHEMBL8477906 0.73 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7983843 0.72 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL8476223 0.72 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4
SCHEMBL678318 0.71 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7980231 0.70 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL29256775 0.68 HPGD (0.71) HPGDRECQLKDM4EMAPTTHRB
SCHEMBL19147929 0.67 ESR2 (0.46) KDM4EMAPTTHRB
SCHEMBL6780551 0.67 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL17687044 0.67 LMNA (0.49) KDM4EMAPT

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