SCHEMBL6608151

SCHEMBL6608151

CN1CCc2c(-c3ccc(C(F)(F)F)cc3)ccc([N+](=O)[O-])c2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.45
GRIA2 P42262 3/20 0.45
GRIA3 P42263 3/20 0.45
GRIA4 P48058 3/20 0.45
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
SIRT6 Q8N6T7 1/20 0.39
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
ENPP2 Q13822 1/20 0.36
SCN9A Q15858 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
HRH1 P35367 2/20 0.35
HTR6 P50406 2/20 0.35
TLR2 O60603 1/20 0.35

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
SCHEMBL6614736 0.86 HTR2A (0.45) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL4363232 0.84 HTR2A (0.51) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL6613450 0.84 HTR2A (0.47) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL6608100 0.79 HRH4 (0.39) GRIA1GRIA2GRIA3GRIA4SCN9A
SCHEMBL8134137 0.78 GRIA1 (0.43) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL8137079 0.76 ALDH1A1 (0.48) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL3020938 0.72 HTR2A (0.51) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL8189050 0.72 HTR2A (0.51) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL4356513 0.70 RAB9A (0.46) GRIA1GRIA2GRIA3GRIA4HTR2A
SCHEMBL6610756 0.69 KDM1A (0.39) GRIA1GRIA2GRIA3GRIA4HRH3

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869958-B1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH AS (DK) 2004-12-29 EP disclosed
EP-1066037-B1 USE OF INDOLE-2,3-DIONE-3-OXIME DERIVATIVES AS AMPA ANTAGONISTS NEUROSEARCH AS (DK) 2004-12-29 EP disclosed
US-6693111-B1 1H-PYRROLO(3,2-H)ISOQUINOLINE DERIVATIVES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS NEUROSEARCH A/S (DK) 2004-02-17 US disclosed
US-RE38200-E1 Capable of antagonizing effect of excitatory amino acids, such as glutamate NEUROSEARCH A/S (DK) 2003-07-22 US disclosed
US-6239128-B1 COMBATING DISEASES AND DISORDERS ASSOCIATED WITH OR MEDIATED BY THE RELEASE OF EXCITATORY AMINO ACIDS, ASSOCIATED WITH REDUCED BLOOD FLOW TO THE BRAIN AND OTHER CNS TISSUE, NEUROSEARCH A/S (DK) 2001-05-29 US disclosed
EP-1066037-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES FOR THERAPEUTIC USE NEUROSEARCH A/S (DK) 2001-01-10 EP disclosed
US-6124285-A Indole-2,3-dione-3-oxime derivatives NEUROSEARCH A/S (DK) 2000-09-26 US disclosed
EP-0781284-B1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2000-01-12 EP disclosed
WO-1999049864-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES FOR THERAPEUTIC USE NEUROSEARCH A/S (DK) 1999-10-07 WO disclosed
US-5917053-A INHIBITING GABA RELEASE FROM NEURONS NEUROSEARCH A/S (DK) 1999-06-29 US disclosed
US-5843945-A AMPA antagonists and a method of treatment NEUROSEARCH A/S (DK) 1998-12-01 US disclosed
EP-0869958-A1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 1998-10-14 EP disclosed
US-5780493-A TREATING BRAIN DISORDERS NEUROSEARCH A/S (DK) 1998-07-14 US disclosed
WO-1998014447-A1 NOVEL INDOLE-2,3-DIONE-3-OXIME DERIVATIVES NEUROSEARCH A/S (DK) 1998-04-09 WO disclosed
EP-0698025-B1 AMPA ANTAGONISTS AND A METHOD OF TREATMENT THEREWITH NEUROSEARCH AS (DK) 1997-12-17 EP disclosed
EP-0781284-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-07-02 EP disclosed
WO-1996008494-A1 INDOLE-2,3-DIONE-3-OXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1996-03-21 WO 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