SCHEMBL7546730

SCHEMBL7546730

COC(=O)c1[nH]c2cc(Cl)cc3c2c1C(CC(=O)Nc1ccccc1)CC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.49
GRIN2D O15399 4/20 0.49
GRIN3B O60391 4/20 0.49
GRIN2A Q12879 4/20 0.49
GRIN2B Q13224 4/20 0.49
GRIN2C Q14957 4/20 0.49
GRIN3A Q8TCU5 4/20 0.49
GPR17 Q13304 1/20 0.39
HSP90B1 P14625 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
ALOX12 P18054 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL7549570 0.91 GRIN1 (0.52) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7550297 0.86 GRIN1 (0.41) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7657650 0.81 MTNR1A (0.44) KDM4EALDH1A1HPGDMEN1MAPT
SCHEMBL7547159 0.80 MTNR1A (0.36) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7548639 0.77 MTNR1A (0.32) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7549043 0.76 MTNR1A (0.33) KDM4EALDH1A1HPGDMAPTMTNR1A
SCHEMBL7548899 0.75 GRIN2D (0.40) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7648683 0.74 GRIN1 (0.45) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL7547267 0.74 MTNR1A (0.32) MAPTMTNR1AMTNR1B
SCHEMBL7554385 0.73 GLS (0.30) MTNR1AMTNR1B

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