SCHEMBL7548322

SCHEMBL7548322

COC(=O)Cc1cc(CNC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
HDAC1 Q13547 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
GRM2 Q14416 1/20 0.41
GLS O94925 2/20 0.41
NAMPT P43490 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4A O75164 1/20 0.40
HPN P05981 1/20 0.39

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
SCHEMBL31432475 0.94 HDAC1 (0.43) GAAHDAC1L3MBTL1TSHRGRM2
SCHEMBL8651923 0.88 CA1 (0.42) GAAHDAC1L3MBTL1TSHRGRM2
SCHEMBL31432277 0.87 HDAC1 (0.46) GAAHDAC1L3MBTL1TSHRGRM2
SCHEMBL8649584 0.86 CA1 (0.40) GAAALDH1A1GFERHDAC1L3MBTL1
SCHEMBL8649580 0.86 CA1 (0.40) GAAALDH1A1GFERHDAC1L3MBTL1
SCHEMBL8652875 0.86 CA1 (0.43) GAAHDAC1L3MBTL1TSHRGRM2
SCHEMBL8649137 0.84 MTNR1A (0.42) GAAHDAC1L3MBTL1TSHRGRM2
SCHEMBL31431973 0.84 GRM2 (0.44) GAAHDAC1L3MBTL1TSHRGRM2
SCHEMBL7407052 0.83 HDAC1 (0.48) GAAHDAC1L3MBTL1TSHRGRM2
SCHEMBL31292271 0.82 MTNR1A (0.43) GAAHDAC1L3MBTL1TSHRGLS

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 5 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-5719152-A Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1998-02-17 US 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
EP-0627434-A1 Tricyclic quinoxalinedione derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-12-07 EP disclosed