SCHEMBL7479847

SCHEMBL7479847

O=C(NCc1ccn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c(=O)n3CCO)c1)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 18/20 0.68
GRIA2 P42262 18/20 0.68
GRIA3 P42263 18/20 0.68
GRIA4 P48058 18/20 0.68
GRIK1 P39086 13/20 0.68
GRIK2 Q13002 13/20 0.68
GRIK3 Q13003 13/20 0.68
GRIK4 Q16099 13/20 0.68
GRIK5 Q16478 13/20 0.68

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
SCHEMBL8674847 0.87 GRIA1 (0.84) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8673127 0.85 GRIA1 (0.78) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7973994 0.85 GRIA1 (0.74) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7975997 0.85 GRIA1 (0.84) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8591066 0.83 GRIA1 (0.67) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674238 0.83 GRIA1 (0.84) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8589174 0.82 GRIA1 (0.65) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7972415 0.81 GRIA1 (0.85) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8687543 0.81 GRIA1 (0.69) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8686136 0.81 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed