SCHEMBL7980231

SCHEMBL7980231

O=C(Cc1ccccc1)N1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.58
GRIA2 P42262 4/20 0.58
GRIA3 P42263 4/20 0.58
GRIA4 P48058 4/20 0.58
RAB9A P51151 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL7970099 0.90 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4RAB9A
SCHEMBL7983843 0.85 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4TRPV1
SCHEMBL8476223 0.80 GRIA1 (0.63) GRIA1GRIA2GRIA3GRIA4
Benzamide SCHEMBL8472482 0.80 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8472488 0.80 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8476595 0.80 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8478909 0.79 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8477906 0.78 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4
SCHEMBL7983673 0.77 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL8351148 0.77 GRIA1 (0.59) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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 4 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
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