SCHEMBL7555174

SCHEMBL7555174

CCOC(=O)CCCCc1cc(CNC(=O)OC(C)(C)C)ccc1NC(=O)CC1CCc2cc(Cl)cc3[nH]c(C(=O)OC)c1c23

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 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
SCHEMBL7554385 0.93 GLS (0.30) MTNR1AMTNR1B
SCHEMBL7547267 0.88 MTNR1A (0.32) MTNR1AMTNR1BMAPT
SCHEMBL7549035 0.87 MTNR1A (0.36) MTNR1AMTNR1BKDM4EMAPTHSD17B10
SCHEMBL7550462 0.87 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL7550864 0.86 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL7549043 0.85 MTNR1A (0.33) MTNR1AMTNR1BKDM4EMAPTALDH1A1
SCHEMBL7548639 0.84 MTNR1A (0.32) MTNR1AMTNR1BKDM4E
SCHEMBL7550440 0.83 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL7551122 0.83 MTNR1A (0.32) MTNR1AMTNR1B
SCHEMBL7547391 0.83 MAPT (0.33) MTNR1AMTNR1BMAPT

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