SCHEMBL3667467

SCHEMBL3667467

O=c1ccccn1-c1cc(-c2ccccc2)cc(-c2ccccn2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
CYP2A6 P11509 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIA1 P42261 1/20 0.39
GRIA3 P42263 1/20 0.39
PDE4D Q08499 1/20 0.39
MAT2A P31153 1/20 0.39
KDM5B Q9UGL1 1/20 0.38
COMT P21964 1/20 0.37
BACE1 P56817 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36

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
SCHEMBL6674834 0.88 CYP2A6 (0.57) GRM5CYP2A6MAPTNPC1RAB9A
SCHEMBL18074830 0.84 GRM5 (0.37) GRM5CYP2A6HTR1AHTR7LMNA
SCHEMBL3672898 0.83 PDE4D (0.38) GRM5CYP2A6HTR1AHTR7MAPT
SCHEMBL2763149 0.83 PTGS2 (0.43) GRM5HTR1AHTR7LMNAMAPT
SCHEMBL3665776 0.83 GRM5 (0.48) GRM5GRIA1GRIA3PDE4DKDM5B
SCHEMBL3667343 0.83 GRM5 (0.47) GRM5MAPTGRIA1GRIA3PDE4D
SCHEMBL3666593 0.82 GRM5 (0.38) GRM5CYP2A6GRIA1GRIA3PDE4D
SCHEMBL6679859 0.80 GRM5 (0.49) GRM5LMNANPC1RAB9AL3MBTL1
SCHEMBL2918046 0.80 GRIA1 (0.56) GRM5GRIA1GRIA3PDE4D
Water SCHEMBL4777578 0.80 GRIA1 (0.56) GRM5GRIA1GRIA3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254577-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN Eisai R&D Management Co., Ltd. (JP) 2010-12-01 EP disclosed
EP-2164488-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2164489-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
EP-2131828-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES Eisai R&D Management Co., Ltd. (JP) 2009-12-16 EP disclosed
WO-2009082039-A1 AMPA RECEPTOR ANTAGONISTS FOR EPILEPSY, MENTAL DISORDERS OR DEFICITS IN SENSORY ORGAN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-02 WO disclosed
WO-2009011410-A1 AMPA RECEPTOR ANTAGONISTS AND ALDOSE REDUCTASE INHIBITORS FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2009011412-A2 COMBINATION OF AMPA RECEPTOR ANTAGONISTS AND ACETYLCHOLINESTERASE INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed
WO-2008111590-A2 AMPA AND NMDA RECEPTOR ANTAGONISTS FOR NEURODEGENERATIVE DISEASES EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-18 WO disclosed