SCHEMBL8489282

SCHEMBL8489282

Cc1cc2[nH]c(=O)c(=O)[nH]c2c(N(CCC(=O)O)S(C)(=O)=O)c1Cl

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 20/20 0.79
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL8485022 0.94 GRIN1 (0.78) GRIN1
SCHEMBL8930661 0.92 GRIN1 (0.74) GRIN1
SCHEMBL7586603 0.90 GRIN1 (0.79) GRIN1
SCHEMBL8486525 0.88 GRIN1 (1.00) GRIN1
SCHEMBL7465495 0.78 GRIN1 (1.00) GRIN1
SCHEMBL8484920 0.77 GRIN1 (0.59) GRIN1
SCHEMBL8485635 0.76 GRIN1 (0.78) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Uk-240455 SCHEMBL6906418 0.76 GRIN1 (0.86) GRIN1
SCHEMBL8485623 0.76 GRIN1 (0.79) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8484806 0.76 GRIN1 (0.64) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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
US-5863917-A ANXIOLYTIC AGENT, ANTICONVULSANTS, ANALGESICS AND NEUROPROTECTIVES. PFIZER, INC. (US) 1999-01-26 US disclosed
EP-0792874-A1 Quinoxaline derivatives useful in therapy Pfizer Limited (GB) 1997-09-03 EP disclosed