SCHEMBL7551083

SCHEMBL7551083

CCOC(=O)COc1cc(CN)ccc1C(C(N)=O)C1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
USP2 O75604 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ADRB3 P13945 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
SCHEMBL7549048 0.91 PTGDR (0.32)
Hydrochloric Acid SCHEMBL7547498 0.90 PTGDR (0.32)
SCHEMBL7550571 0.83 GRIN1 (0.33)
Hydrochloric Acid SCHEMBL7554193 0.80 GRIN1 (0.32)
SCHEMBL7551094 0.80 MTNR1A (0.34) ACE2KDM4EALDH1A1HPGDNPSR1
SCHEMBL7551403 0.78 GPR17 (0.35)
SCHEMBL7551089 0.76 MAPK1 (0.35) ADRB3
SCHEMBL7548907 0.71 L3MBTL1 (0.32) NPSR1
SCHEMBL7549065 0.70 PPARD (0.35)
SCHEMBL7549055 0.67 PTGES (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