SCHEMBL7550465

SCHEMBL7550465

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

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.31
NR1I3 Q14994 1/20 0.30
NPY1R P25929 1/20 0.30
RAF1 P04049 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
RORC P51449 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
SCHEMBL7547271 0.94 RORC (0.31) MAPK14NR1I3RAF1SIRT2SIRT1
SCHEMBL7548912 0.94 NR1I3 (0.31) NR1I3NPY1RSIRT2SIRT1RORC
SCHEMBL7548644 0.90 MAPK14 (0.32) MAPK14NR1I3NPY1RRAF1SIRT2
SCHEMBL7549047 0.89 MAPK14 (0.33) MAPK14NR1I3RAF1SIRT2SIRT1
SCHEMBL7547397 0.87 CNR1 (0.32) MAPK14NR1I3RAF1SIRT2SIRT1
SCHEMBL7555176 0.87 KDM4E (0.31)
SCHEMBL7548911 0.85 AAK1 (0.33)
SCHEMBL7549039 0.85 ALOX15 (0.32) NR1I3
SCHEMBL7550091 0.84 NR1I3 (0.32) NR1I3NPY1RSIRT2SIRT1RORC
SCHEMBL7551128 0.82 AAK1 (0.33)

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