SCHEMBL7548916

SCHEMBL7548916

CC(C)(C)OC(=O)NCc1ccc(NC(=O)CC2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(CC(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
HDAC1 Q13547 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.31
MAPT P10636 1/20 0.31
NAMPT P43490 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30

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
SCHEMBL7550462 0.94 MTNR1A (0.32) SUCNR1HDAC1L3MBTL1ROCK2NAMPT
SCHEMBL7547267 0.89 MTNR1A (0.32) L3MBTL1ROCK2MAPTNAMPT
SCHEMBL7550093 0.89 PPARD (0.33) GRIN1HDAC1L3MBTL1ROCK2MAPT
SCHEMBL7653673 0.86 ROCK2 (0.31) GRIN1L3MBTL1ROCK2MAPT
SCHEMBL7554385 0.86 GLS (0.30)
SCHEMBL7548639 0.86 MTNR1A (0.32) GRIN1HDAC1L3MBTL1ROCK2NAMPT
SCHEMBL7555561 0.85 GRIN1 (0.35) GRIN1MAPTGRIN2DGRIN3BGRIN2A
SCHEMBL7549043 0.84 MTNR1A (0.33) L3MBTL1ROCK2MAPTNAMPT
SCHEMBL7555187 0.82
SCHEMBL7555184 0.82

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-0657427-B1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMA (JP) 2002-06-19 EP disclosed
US-5496843-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-03-05 US disclosed
EP-0657427-A1 Tricyclic indole-2-carboxylic acid derivatives being selective antagonists of the NMDA receptor SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-06-14 EP disclosed