SCHEMBL3677987

SCHEMBL3677987

COc1ccncc1-c1cc(-c2ccccn2)cc(-n2ccccc2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
GRM5 P41594 3/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
GSK3B P49841 5/20 0.38
CYP2A6 P11509 1/20 0.37
JAK2 O60674 1/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
SYK P43405 1/20 0.37
PIK3CG P48736 1/20 0.37
MAPK10 P53779 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL6679859 0.89 GRM5 (0.49) ERN1GRM5KDM4ELMNAPOLB
SCHEMBL6674834 0.78 CYP2A6 (0.57) GRM5SMN1; SMN2MAPTCYP2A6KDR
SCHEMBL3667668 0.77 GRM5 (0.53) GRM5L3MBTL1MAPTGSK3BKDR
SCHEMBL3667467 0.76 GRM5 (0.42) GRM5KDM4ELMNAPOLBL3MBTL1
SCHEMBL3672898 0.76 PDE4D (0.38) GRM5MAPTCYP2A6
SCHEMBL3665776 0.76 GRM5 (0.48) GRM5
SCHEMBL3667343 0.76 GRM5 (0.47) GRM5KDM4ESMN1; SMN2MAPTJAK2
SCHEMBL3666593 0.75 GRM5 (0.38) GRM5CYP2A6
SCHEMBL1881788 0.74 GRIA1 (0.58) ERN1GRM5KDM4ELMNAPOLB
Water SCHEMBL4777578 0.73 GRIA1 (0.56) 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 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-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-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
EP-1871369-A2 DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES Eisai Co., Ltd. (JP) 2008-01-02 EP disclosed
WO-2006107860-A2 DIHYDROPYRIDINE COMPOUNDS AND COMPOSITIONS FOR HEADACHES EISAI CO., LTD. (JP) 2006-10-12 WO disclosed