SCHEMBL3668801

SCHEMBL3668801

N#Cc1ncccc1-c1cc(-c2ccccn2)cc(-n2ccccc2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.45
GRIA3 P42263 1/20 0.45
PDE4D Q08499 1/20 0.45
GRM5 P41594 7/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
TGFBR1 P36897 1/20 0.36
METAP2 P50579 2/20 0.34
CYP2A6 P11509 1/20 0.34
IDO1 P14902 1/20 0.33

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
SCHEMBL2918046 0.87 GRIA1 (0.56) GRIA1GRIA3PDE4DGRM5TGFBR1
Water SCHEMBL4777578 0.87 GRIA1 (0.56) GRIA1GRIA3PDE4DGRM5TGFBR1
SCHEMBL3672898 0.83 PDE4D (0.38) GRIA1GRIA3PDE4DGRM5CYP2A6
SCHEMBL3666593 0.82 GRM5 (0.38) GRIA1GRIA3PDE4DGRM5CYP2A6
SCHEMBL3665535 0.81 GRIA1 (0.41) GRIA1GRIA3PDE4DGRM5TGFBR1
SCHEMBL3667343 0.81 GRM5 (0.47) GRIA1GRIA3PDE4DGRM5
SCHEMBL3665776 0.81 GRM5 (0.48) GRIA1GRIA3PDE4DGRM5TGFBR1
SCHEMBL3667467 0.79 GRM5 (0.42) GRIA1GRIA3PDE4DGRM5CYP2A6
SCHEMBL4372509 0.79 CHEK2 (0.41) GRIA1GRIA3PDE4DGRM5TGFBR1
SCHEMBL6679859 0.78 GRM5 (0.49) GRM5

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 6 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-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE 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
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-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE 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