SCHEMBL7548639

SCHEMBL7548639

COC(=O)c1[nH]c2cc(Cl)cc3c2c1C(CC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)O)CC3

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 2/20 0.31
CACNA1B Q00975 1/20 0.31
ROCK2 O75116 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NAMPT P43490 1/20 0.31
GRIN1 Q05586 2/20 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
HDAC1 Q13547 1/20 0.30
ACACB O00763 1/20 0.30
ACACA Q13085 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
SCHEMBL7549043 0.96 MTNR1A (0.33) MTNR1AMTNR1BL3MBTL1GAACACNA1B
SCHEMBL7547784 0.92 MTNR1A (0.34) MTNR1AMTNR1BL3MBTL1CACNA1BNAMPT
SCHEMBL7550462 0.90 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1ROCK2NAMPT
SCHEMBL7547267 0.89 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1CACNA1BROCK2
SCHEMBL7547391 0.88 MAPT (0.33) MTNR1AMTNR1BL3MBTL1
SCHEMBL7554385 0.88 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7554008 0.87 FPR3 (0.36) MTNR1AMTNR1BL3MBTL1GAACACNA1B
SCHEMBL7548916 0.86 GRIN1 (0.32) L3MBTL1ROCK2NAMPTGRIN1GRIN2D
SCHEMBL7549035 0.86 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1CACNA1BKDM4E
SCHEMBL7550093 0.85 PPARD (0.33) L3MBTL1ROCK2GRIN1GRIN2DGRIN3B

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