SCHEMBL7549048

SCHEMBL7549048

NCc1ccc(C(C(N)=O)C2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(OCC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
PLAU P00749 1/20 0.32
PTGER2 P43116 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
FBP1 P09467 1/20 0.31
GPR17 Q13304 1/20 0.31
MCL1 Q07820 1/20 0.30
PLA2G2A P14555 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
Hydrochloric Acid SCHEMBL7547498 0.99 PTGDR (0.32) PTGDRPTGDR2PLAUPTGER2MEN1
SCHEMBL7551083 0.91 ACE2 (0.33)
SCHEMBL7550571 0.87 GRIN1 (0.33) GRIN1FBP1GPR17
Hydrochloric Acid SCHEMBL7554193 0.85 GRIN1 (0.32) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7548266 0.85 GPR17 (0.39) GRIN1FBP1GPR17
SCHEMBL7551403 0.83 GPR17 (0.35) GRIN1FBP1GPR17
SCHEMBL7549065 0.78 PPARD (0.35) PTGDRPTGDR2PTGER2GRIN1GRIN2D
Hydrochloric Acid SCHEMBL7547515 0.78 PPARD (0.34) PTGDRPTGDR2PTGER2GRIN1GRIN2D
SCHEMBL7553550 0.77 GPR17 (0.31) GPR17
SCHEMBL7548907 0.75 L3MBTL1 (0.32) GRIN1

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