SCHEMBL4664237

SCHEMBL4664237

CC(C)(C)OC(=O)NCc1cccnc1CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.44
KCNA5 P22460 1/20 0.43
CYP3A4 P08684 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KDM4A O75164 1/20 0.41
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
AKT1 P31749 1/20 0.39
ATR Q13535 1/20 0.39
POLB P06746 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NQO2 P16083 1/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
BRD4 O60885 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL16829010 0.88 NAMPT (0.45) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL12578946 0.85 ATR (0.47) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL21730231 0.83 NAMPT (0.47) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL29907709 0.83 NAMPT (0.47) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL15804093 0.82 NAMPT (0.46) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL12663061 0.82 NAMPT (0.44) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL35210561 0.81 NAMPT (0.46) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL17018589 0.81 NAMPT (0.46) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL4777327 0.81 KCNA5 (0.41) NAMPTKCNA5CYP3A4L3MBTL1KDM4E
SCHEMBL23541505 0.80 NAMPT (0.45) NAMPTKCNA5CYP3A4L3MBTL1KDM4E

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-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed