SCHEMBL7360547

SCHEMBL7360547

CN1CCc2c(-c3ccc([N+](=O)[O-])cc3)cc3c(c2C1)NC(=O)C3=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.53
GRIA2 P42262 3/20 0.53
GRIA3 P42263 3/20 0.53
GRIA4 P48058 3/20 0.53
CASP3 P42574 3/20 0.40
CAPN9 O14815 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HTR7 P34969 1/20 0.37
CASP2 P42575 1/20 0.36
CASP7 P55210 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIRT6 Q8N6T7 1/20 0.35
HPGD P15428 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL4365952 0.87 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL4365955 0.87 GRIA1 (0.54) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8102934 0.84 CES1 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL13592440 0.84 GRIA1 (0.36) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6609831 0.84 MCHR1 (0.39) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6607897 0.84 CYP2C9 (0.39) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8133530 0.83 PTGS2 (0.40) GRIA1GRIA2GRIA3GRIA4
SCHEMBL4370479 0.83 HTR6 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8134987 0.82 SMN1; SMN2 (0.42) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6610756 0.81 KDM1A (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843945-A AMPA antagonists and a method of treatment NEUROSEARCH A/S (DK) 1998-12-01 US disclosed
EP-0698025-B1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH AS (DK) 1997-12-17 EP disclosed
EP-0698025-A1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH A/S (DK) 1996-02-28 EP disclosed
WO-1994026747-A1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH A/S (DK) 1994-11-24 WO disclosed