SCHEMBL5741246

SCHEMBL5741246

CC(C)(CO)CCc1ccc(CNC(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.40
KDM4A O75164 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
GLS O94925 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NAMPT P43490 2/20 0.36
HDAC1 Q13547 1/20 0.36
S1PR1 P21453 1/20 0.36
GAA P10253 1/20 0.36
NQO2 P16083 1/20 0.35
KCNA5 P22460 1/20 0.35
BDKRB1 P46663 3/20 0.35

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
SCHEMBL5728735 0.91 GRM2 (0.44) GRM2KDM4AEPHX2NR1H4GLS
SCHEMBL6371286 0.86 TDP1 (0.43) GRM2KDM4AEPHX2NR1H4GLS
SCHEMBL12231326 0.85 GRM2 (0.43) GRM2KDM4AEPHX2NR1H4L3MBTL1
SCHEMBL26828546 0.83 EPHX2 (0.42) GRM2KDM4AEPHX2NR1H4L3MBTL1
SCHEMBL6375539 0.82 KDM4A (0.39) GRM2KDM4AEPHX2NR1H4GLS
SCHEMBL24493194 0.82 HDAC10 (0.42) GRM2KDM4AEPHX2NR1H4L3MBTL1
SCHEMBL16935706 0.82 GRM2 (0.43) GRM2KDM4AEPHX2NR1H4L3MBTL1
SCHEMBL29924728 0.81 GRM2 (0.49) GRM2KDM4AEPHX2NR1H4GLS
SCHEMBL12231247 0.81 GRM2 (0.49) GRM2KDM4AEPHX2NR1H4GLS
SCHEMBL12791296 0.79 P2RX7 (0.46) GRM2KDM4AEPHX2NR1H4HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed