SCHEMBL7549570

SCHEMBL7549570

O=C(CC1CCc2cc(Cl)cc3[nH]c(C(=O)O)c1c23)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 8/20 0.52
GRIN2D O15399 4/20 0.52
GRIN3B O60391 4/20 0.52
GRIN2A Q12879 4/20 0.52
GRIN2B Q13224 4/20 0.52
GRIN2C Q14957 4/20 0.52
GRIN3A Q8TCU5 4/20 0.52
GPR17 Q13304 1/20 0.45
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL7546730 0.91 GRIN1 (0.49) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7555324 0.84 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7648683 0.84 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7550579 0.81 GRIN1 (0.36) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7555561 0.79 GRIN1 (0.35) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7554199 0.78 GRIN1 (0.34) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7548276 0.78 GPR17 (0.38) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7549065 0.77 PPARD (0.35) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7547515 0.77 PPARD (0.34) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7551416 0.76 GPR17 (0.34) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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