SCHEMBL7983799

SCHEMBL7983799

O=c1[nH]c2cc([N+](=O)[O-])c3c(c2[nH]c1=O)CNCC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 6/20 0.60
GRIA2 P42262 6/20 0.60
GRIA3 P42263 6/20 0.60
GRIA4 P48058 6/20 0.60
GRIN2D O15399 4/20 0.50
GRIN3B O60391 4/20 0.50
GRIN1 Q05586 4/20 0.50
GRIN2A Q12879 4/20 0.50
GRIN2B Q13224 4/20 0.50
GRIN2C Q14957 4/20 0.50
GRIN3A Q8TCU5 4/20 0.50
CYP1A2 P05177 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GRIK1 P39086 1/20 0.50
BLM P54132 1/20 0.50
GRIK2 Q13002 1/20 0.50

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
SCHEMBL29798454 0.75 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL678318 0.75 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8672228 0.75 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7568176 0.74 GRIN2D (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6780272 0.74 GRIA1 (0.45) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7103934 0.73 GRIA1 (0.81) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL9092889 0.73 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4GRIN2D
Hydrochloric Acid SCHEMBL9093386 0.72 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6780551 0.72 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6784577 0.72 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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