SCHEMBL7554008

SCHEMBL7554008

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1NC(=O)CC1CCc2cc(Br)cc3[nH]c(C(=O)OC)c1c23

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 2/20 0.36
FPR2 P25090 2/20 0.36
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
CACNA1B Q00975 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
AAK1 Q2M2I8 3/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
NAMPT P43490 1/20 0.31
IGF1R P08069 1/20 0.31
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
ROCK2 O75116 1/20 0.30
USP2 O75604 2/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 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
SCHEMBL7547784 0.96 MTNR1A (0.34) FPR3FPR2MTNR1AMTNR1BCACNA1B
SCHEMBL7549043 0.91 MTNR1A (0.33) FPR3FPR2MTNR1AMTNR1BCACNA1B
SCHEMBL7548909 0.89 MTNR1A (0.32) FPR3FPR2MTNR1AMTNR1BL3MBTL1
SCHEMBL7551122 0.89 MTNR1A (0.32) FPR3FPR2MTNR1AMTNR1BCACNA1B
SCHEMBL7550864 0.88 MTNR1A (0.32) FPR3FPR2MTNR1AMTNR1BCACNA1B
SCHEMBL7550440 0.88 MTNR1A (0.32) FPR3FPR2MTNR1AMTNR1BNAMPT
SCHEMBL7548639 0.87 MTNR1A (0.32) MTNR1AMTNR1BCACNA1BL3MBTL1NAMPT
SCHEMBL7551444 0.82 MTNR1A (0.34) MTNR1AMTNR1BPRMT5WDR77MAPT
SCHEMBL7550462 0.82 MTNR1A (0.32) MTNR1AMTNR1BL3MBTL1NAMPTROCK2
SCHEMBL7547267 0.82 MTNR1A (0.32) MTNR1AMTNR1BCACNA1BL3MBTL1NAMPT

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