SCHEMBL8674238

SCHEMBL8674238

O=C(NCc1ccn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c(=O)n3CCO)c1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 19/20 0.84
▸ GRIA2 P42262 19/20 0.84
▸ GRIA3 P42263 19/20 0.84
▸ GRIA4 P48058 19/20 0.84
▸ GRIK1 P39086 12/20 0.84
▸ GRIK2 Q13002 12/20 0.84
▸ GRIK3 Q13003 12/20 0.84
▸ GRIK4 Q16099 12/20 0.84
▸ GRIK5 Q16478 12/20 0.84

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
SCHEMBL8675672 0.91 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674847 0.90 GRIA1 (0.84) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7975997 0.89 GRIA1 (0.84) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7972415 0.85 GRIA1 (0.85) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7479472 0.84 GRIA1 (0.87) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8676905 0.83 GRIA1 (0.71) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7479847 0.83 GRIA1 (0.68) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674522 0.81 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8672085 0.81 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7972520 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 — — US disclosed
Send feedback