SCHEMBL7548909

SCHEMBL7548909

COC(=O)c1[nH]c2cc(Br)cc3c2c1C(CC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1CCC(=O)O)CC3

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
HDAC1 Q13547 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 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
SCHEMBL7550440 0.96 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2
SCHEMBL7551122 0.95 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2L3MBTL1
SCHEMBL7550864 0.92 MTNR1A (0.32) MTNR1AMTNR1BFPR3FPR2
SCHEMBL7547784 0.89 MTNR1A (0.34) MTNR1AMTNR1BFPR3FPR2HDAC1
SCHEMBL7554008 0.89 FPR3 (0.36) MTNR1AMTNR1BFPR3FPR2L3MBTL1
SCHEMBL7554385 0.88 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7550462 0.85 MTNR1A (0.32) MTNR1AMTNR1BHDAC1L3MBTL1
SCHEMBL7547267 0.83 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1
SCHEMBL7548639 0.81 MTNR1A (0.32) MTNR1AMTNR1BHDAC1L3MBTL1GRIN2D
SCHEMBL7549043 0.81 MTNR1A (0.33) MTNR1AMTNR1BFPR3FPR2L3MBTL1

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 2 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
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