SCHEMBL7547784

SCHEMBL7547784

COC(=O)c1[nH]c2cc(Br)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 0.34
MTNR1B P49286 2/20 0.34
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33
CACNA1B Q00975 1/20 0.33
AAK1 Q2M2I8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
NAMPT P43490 1/20 0.31
GRIN2D O15399 2/20 0.30
GRIN3B O60391 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2A Q12879 2/20 0.30
GRIN2B Q13224 2/20 0.30
GRIN2C Q14957 2/20 0.30
GRIN3A Q8TCU5 2/20 0.30
POLB P06746 1/20 0.30
HDAC1 Q13547 1/20 0.30
IGF1R P08069 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
SCHEMBL7554008 0.96 FPR3 (0.36) MTNR1AMTNR1BFPR3FPR2CACNA1B
SCHEMBL7548639 0.92 MTNR1A (0.32) MTNR1AMTNR1BCACNA1BL3MBTL1NAMPT
SCHEMBL7548909 0.89 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2L3MBTL1
SCHEMBL7550440 0.88 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2NAMPT
SCHEMBL7551122 0.88 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2CACNA1B
SCHEMBL7549043 0.87 MTNR1A (0.33) MTNR1AMTNR1BFPR3FPR2CACNA1B
SCHEMBL7550864 0.87 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2CACNA1B
SCHEMBL7550462 0.82 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1NAMPTHDAC1
SCHEMBL7551444 0.81 MTNR1A (0.34) MTNR1AMTNR1BGRIN2DGRIN3BGRIN1
SCHEMBL7547267 0.81 MTNR1A (0.32) MTNR1AMTNR1BCACNA1BL3MBTL1NAMPT

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