SCHEMBL7549039

SCHEMBL7549039

CCOC(=O)COc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)C(C)C1CCc2cc(Cl)cc3[nH]c(C(=O)OC)c1c23

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 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
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
NR1I3 Q14994 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL7547397 0.96 CNR1 (0.32) KDM4EMAPTNR1I3ALDH1A1
SCHEMBL7555176 0.88 KDM4E (0.31) ALOX15KDM4EMAPTHSD17B10LMNA
SCHEMBL7550091 0.88 NR1I3 (0.32) NR1I3
SCHEMBL7549047 0.86 MAPK14 (0.33) KDM4EHPGDNR1I3ALDH1A1
SCHEMBL7547271 0.86 RORC (0.31) NR1I3
SCHEMBL7548644 0.85 MAPK14 (0.32) KDM4EHPGDNR1I3ALDH1A1
SCHEMBL7550465 0.85 MAPK14 (0.31) NR1I3
SCHEMBL7551089 0.82 MAPK1 (0.35) MAPK1
SCHEMBL7548912 0.79 NR1I3 (0.31) NR1I3
SCHEMBL7549035 0.79 MTNR1A (0.36) KDM4EMAPTHSD17B10LMNAHPGD

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