SCHEMBL7549035

SCHEMBL7549035

CCOC(=O)COc1cc(CNC(=O)OC(C)(C)C)ccc1NC(=O)CC1CCc2cc(Cl)cc3[nH]c(C(=O)OC)c1c23

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
LMNA P02545 2/20 0.31
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 3/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CACNA1B Q00975 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
SCHEMBL7547391 0.95 MAPT (0.33) MTNR1AMTNR1BMAPTL3MBTL1TDP1
SCHEMBL7555174 0.87 MTNR1A (0.34) MTNR1AMTNR1BLMNAKDM4EHSD17B10
SCHEMBL7550093 0.87 PPARD (0.33) MAPTL3MBTL1TDP1
SCHEMBL7549043 0.87 MTNR1A (0.33) MTNR1AMTNR1BLMNAKDM4EMAPT
SCHEMBL7547267 0.86 MTNR1A (0.32) MTNR1AMTNR1BMAPTL3MBTL1TDP1
SCHEMBL7548639 0.86 MTNR1A (0.32) MTNR1AMTNR1BKDM4EL3MBTL1CACNA1B
SCHEMBL7550462 0.84 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1
SCHEMBL7551094 0.82 MTNR1A (0.34) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL7554385 0.82 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7653673 0.81 ROCK2 (0.31) MAPTNPSR1L3MBTL1TDP1

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