SCHEMBL7547267

SCHEMBL7547267

COC(=O)Cc1cc(CNC(=O)OC(C)(C)C)ccc1NC(=O)CC1CCc2cc(Cl)cc3[nH]c(C(=O)OC)c1c23

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CACNA1B Q00975 1/20 0.30
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
SCHEMBL7550462 0.95 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1ROCK2NAMPT
SCHEMBL7555184 0.93
SCHEMBL7555187 0.93
SCHEMBL7549043 0.90 MTNR1A (0.33) MTNR1AMTNR1BL3MBTL1MAPTTDP1
SCHEMBL7548916 0.89 GRIN1 (0.32) L3MBTL1MAPTROCK2NAMPT
SCHEMBL7548639 0.89 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1CACNA1BROCK2
SCHEMBL7554385 0.89 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7555174 0.88 MTNR1A (0.34) MTNR1AMTNR1BMAPT
SCHEMBL7547391 0.88 MAPT (0.33) MTNR1AMTNR1BL3MBTL1MAPTTDP1
SCHEMBL7549035 0.86 MTNR1A (0.36) MTNR1AMTNR1BL3MBTL1MAPTTDP1

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