SCHEMBL8611656

SCHEMBL8611656

CCOC(=O)CCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.52
GRIK2 Q13002 1/20 0.52
GRIK3 Q13003 1/20 0.52
GRIK4 Q16099 1/20 0.52
GRIK5 Q16478 1/20 0.52
GRIA1 P42261 2/20 0.47
GRIA2 P42262 2/20 0.47
GRIA3 P42263 2/20 0.47
GRIA4 P48058 2/20 0.47
PDE5A O76074 2/20 0.46
PDE9A O76083 2/20 0.46
TRPV4 Q9HBA0 1/20 0.43
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7486477 0.89 GRIA1 (0.58) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL3588054 0.81 PDE9A (0.52) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8610630 0.81 GRIK1 (0.53) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8117343 0.80 MEN1 (0.47) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL7478166 0.80 PDE5A (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL9544064 0.80 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PDE5A
SCHEMBL8612182 0.80 GRIA1 (0.69) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL3593767 0.79 PDE9A (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8191089 0.79 GRIK1 (0.55) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL24335140 0.78 PDE5A (0.48) GRIK1GRIK2GRIK3GRIK4GRIK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed