SCHEMBL7550086

SCHEMBL7550086

CC(C)(C)OC(=O)NCc1ccc(C(C(N)=O)C2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)c(OCC(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
HPN P05981 1/20 0.31
IGF1R P08069 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
RECQL P46063 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ROCK2 O75116 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
SCHEMBL7548907 0.90 L3MBTL1 (0.32) L3MBTL1HPNMAPTRECQLNPSR1
SCHEMBL7549048 0.86 PTGDR (0.32) MEN1KMT2A
SCHEMBL9078667 0.85 L3MBTL1 (0.31) L3MBTL1HPNROCK2
SCHEMBL7550093 0.81 PPARD (0.33) L3MBTL1MEN1KMT2AMAPTTDP1
SCHEMBL7551083 0.80 ACE2 (0.33) NPSR1
SCHEMBL9079933 0.77 L3MBTL1 (0.31) L3MBTL1HPNIGF1R
SCHEMBL7550091 0.75 NR1I3 (0.32)
Hydrochloric Acid SCHEMBL7554193 0.74 GRIN1 (0.32)
SCHEMBL7550571 0.74 GRIN1 (0.33)
SCHEMBL7653673 0.73 ROCK2 (0.31) L3MBTL1MAPTTDP1NPSR1ROCK2

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