SCHEMBL3669467

SCHEMBL3669467

N#Cc1ccccc1-c1cc(Cn2ccccc2=O)cc(-c2ccccn2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.47
GRIA3 P42263 1/20 0.47
PDE4D Q08499 1/20 0.47
ADORA2A P29274 14/20 0.41
KLKB1 P03952 1/20 0.39
CYP19A1 P11511 1/20 0.38
FFAR1 O14842 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
SCHEMBL2918046 0.82 GRIA1 (0.56) GRIA1GRIA3PDE4D
Water SCHEMBL4777578 0.82 GRIA1 (0.56) GRIA1GRIA3PDE4D
SCHEMBL2925898 0.74 GRIA1 (0.50) GRIA1GRIA3PDE4DFFAR1
SCHEMBL1885896 0.73 GRIA1 (0.68) GRIA1GRIA3PDE4DADORA2A
SCHEMBL4463772 0.73 GRIA1 (0.50) GRIA1GRIA3PDE4D
SCHEMBL3475505 0.72 GRIA1 (0.52) GRIA1GRIA3PDE4DADORA2A
SCHEMBL18411434 0.72 GRIA1 (0.53) GRIA1GRIA3PDE4DCYP19A1
SCHEMBL5046202 0.71 GRIA1 (0.48) GRIA1GRIA3PDE4D
SCHEMBL18411316 0.71 GRIA1 (0.52) GRIA1GRIA3PDE4DCYP19A1
SCHEMBL2762971 0.71 GRIA1 (0.46) GRIA1GRIA3PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164487-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN Eisai R&D Management Co., Ltd. (JP) 2010-03-24 EP disclosed
WO-2009011411-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR NEUROPATHIC PAIN EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-01-22 WO disclosed