SCHEMBL7548653

SCHEMBL7548653

NCC(C(=O)Nc1ccccc1CCCC(=O)O)C1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.38
GPR17 Q13304 4/20 0.36
FBP1 P09467 1/20 0.36
PTGS2 P35354 5/20 0.33
GRIN1 Q05586 3/20 0.33
MAPT P10636 1/20 0.33
SLC16A3 O15427 1/20 0.31

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
SCHEMBL7551657 0.91 GPR17 (0.36) PTGESGPR17GRIN1
SCHEMBL7548647 0.80 GPR17 (0.36) PTGESGPR17FBP1GRIN1MAPT
SCHEMBL7551410 0.79 GPR17 (0.34) PTGESGPR17FBP1
SCHEMBL7548270 0.76 GPR17 (0.37) PTGESGPR17FBP1PTGS2
SCHEMBL7551403 0.73 GPR17 (0.35) GPR17FBP1GRIN1
SCHEMBL7555556 0.73 GPR17 (0.33) GPR17FBP1PTGS2GRIN1MAPT
Hydrochloric Acid SCHEMBL7554197 0.72 GPR17 (0.32) GPR17FBP1GRIN1MAPT
SCHEMBL7551416 0.72 GPR17 (0.34) GPR17FBP1GRIN1
SCHEMBL7551654 0.71 GPR17 (0.35) GPR17GRIN1
SCHEMBL7548266 0.70 GPR17 (0.39) GPR17FBP1GRIN1

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