SCHEMBL7548907

SCHEMBL7548907

CC(C)(C)OC(=O)NCc1ccc(C(C(N)=O)C2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(CC(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
ROCK2 O75116 1/20 0.31
GRIN1 Q05586 2/20 0.31
HPN P05981 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 1/20 0.30
PARP1 P09874 1/20 0.30
PARP2 Q9UGN5 1/20 0.30
GAA P10253 1/20 0.30
CACNA1B Q00975 1/20 0.30
MDM2 Q00987 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7550086 0.90 L3MBTL1 (0.32) L3MBTL1ROCK2HPNMAPTRECQL
SCHEMBL9078667 0.87 L3MBTL1 (0.31) L3MBTL1ROCK2HPN
Hydrochloric Acid SCHEMBL7554193 0.85 GRIN1 (0.32) GRIN1MDM2
SCHEMBL7548916 0.81 GRIN1 (0.32) L3MBTL1ROCK2GRIN1MAPT
SCHEMBL9079933 0.78 L3MBTL1 (0.31) L3MBTL1HPN
SCHEMBL7550462 0.76 MTNR1A (0.32) L3MBTL1ROCK2
SCHEMBL7550571 0.76 GRIN1 (0.33) GRIN1MDM2
SCHEMBL7548912 0.75 NR1I3 (0.31)
SCHEMBL7550093 0.73 PPARD (0.33) L3MBTL1ROCK2GRIN1MAPT
SCHEMBL7653673 0.72 ROCK2 (0.31) L3MBTL1ROCK2GRIN1MAPTNPSR1

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