SCHEMBL5728735

SCHEMBL5728735

CC(C)(CO)CCc1ccc(CNC(=O)OC(C)(C)C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
HDAC1 Q13547 2/20 0.39
NAMPT P43490 2/20 0.39
GLS O94925 3/20 0.38
GAA P10253 1/20 0.38
KDM4A O75164 1/20 0.38
S1PR1 P21453 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL5741246 0.91 GRM2 (0.40) GRM2L3MBTL1HDAC1NAMPTGLS
SCHEMBL29924728 0.86 GRM2 (0.49) GRM2L3MBTL1HDAC1NAMPTGLS
SCHEMBL12231247 0.86 GRM2 (0.49) GRM2L3MBTL1HDAC1NAMPTGLS
SCHEMBL24822620 0.81 GRM2 (0.44) GRM2L3MBTL1HDAC1NAMPTGAA
SCHEMBL12231326 0.80 GRM2 (0.43) GRM2L3MBTL1HDAC1NAMPTGAA
SCHEMBL29769069 0.80 GRM2 (0.49) GRM2L3MBTL1HDAC1NAMPTGLS
SCHEMBL24999627 0.80 GRM2 (0.49) GRM2L3MBTL1HDAC1NAMPTGLS
SCHEMBL21090329 0.79 GRM2 (0.49) GRM2L3MBTL1HDAC1NAMPTGLS
SCHEMBL6371286 0.79 TDP1 (0.43) GRM2L3MBTL1NAMPTGLSKDM4A
SCHEMBL26828546 0.78 EPHX2 (0.42) GRM2L3MBTL1HDAC1NAMPTGAA

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