SCHEMBL7550462

SCHEMBL7550462

COC(=O)c1[nH]c2cc(Cl)cc3c2c1C(CC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1CC(=O)O)CC3

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
SUCNR1 Q9BXA5 1/20 0.31
HDAC1 Q13547 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ROCK2 O75116 1/20 0.30
NAMPT P43490 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
SCHEMBL7547267 0.95 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1ROCK2NAMPT
SCHEMBL7548916 0.94 GRIN1 (0.32) SUCNR1HDAC1L3MBTL1ROCK2NAMPT
SCHEMBL7554385 0.92 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7548639 0.90 MTNR1A (0.32) MTNR1AMTNR1BHDAC1L3MBTL1ROCK2
SCHEMBL7549043 0.90 MTNR1A (0.33) MTNR1AMTNR1BL3MBTL1ROCK2NAMPT
SCHEMBL7555187 0.88
SCHEMBL7555184 0.88
SCHEMBL7555174 0.87 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL7547391 0.87 MAPT (0.33) MTNR1AMTNR1BL3MBTL1
SCHEMBL7548909 0.85 MTNR1A (0.32) MTNR1AMTNR1BHDAC1L3MBTL1

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