SCHEMBL7547159

SCHEMBL7547159

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.36
MTNR1B P49286 2/20 0.36
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 2/20 0.35
GRIN2D O15399 2/20 0.32
GRIN3B O60391 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
GRIN3A Q8TCU5 2/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.31
HTR2A P28223 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL7657650 0.87 MTNR1A (0.44) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7550297 0.87 GRIN1 (0.41) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7547391 0.79 MAPT (0.33) MTNR1AMTNR1BMAPT
SCHEMBL7547267 0.78 MTNR1A (0.32) MTNR1AMTNR1BMAPT
SCHEMBL7548639 0.78 MTNR1A (0.32) MTNR1AMTNR1BKDM4EGRIN2DGRIN3B
SCHEMBL7549035 0.75 MTNR1A (0.36) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7555184 0.75
SCHEMBL7648683 0.74 GRIN1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7554385 0.74 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7547397 0.72 CNR1 (0.32) KDM4EALDH1A1MAPTMEN1APOBEC3A

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