SCHEMBL7549047

SCHEMBL7549047

COC(=O)c1cc(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 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.33
RAF1 P04049 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LEF1 Q9UJU2 1/20 0.32
ATR Q13535 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NR1I3 Q14994 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ACHE P22303 1/20 0.30
BACE1 P56817 1/20 0.30
EGFR P00533 1/20 0.30
SRC P12931 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
SCHEMBL7548644 0.96 MAPK14 (0.32) MAPK14RAF1SIRT2SIRT1LEF1
SCHEMBL7554010 0.91 AAK1 (0.36) NPC1RAB9ALEF1AAK1KDM4E
SCHEMBL7547271 0.89 RORC (0.31) MAPK14RAF1SIRT2SIRT1NR1I3
SCHEMBL7550465 0.89 MAPK14 (0.31) MAPK14RAF1SIRT2SIRT1NR1I3
SCHEMBL7547397 0.89 CNR1 (0.32) MAPK14RAF1SIRT2SIRT1KDM4E
SCHEMBL7547793 0.87 AAK1 (0.35) LEF1AAK1KDM4ENR1I3BACE1
SCHEMBL7549039 0.86 ALOX15 (0.32) KDM4EALDH1A1HPGDNR1I3
SCHEMBL7555176 0.84 KDM4E (0.31) KDM4EALDH1A1HPGD
SCHEMBL7548912 0.83 NR1I3 (0.31) SIRT2SIRT1AAK1NR1I3
SCHEMBL7550091 0.82 NR1I3 (0.32) SIRT2SIRT1NR1I3EGFRSRC

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