SCHEMBL4664636

SCHEMBL4664636

CCCCOC(=O)NCc1cccnc1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
PLCG1 P19174 1/20 0.41
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
MGLL Q99685 1/20 0.38
ACHE P22303 6/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.37
NFKB1 P19838 1/20 0.37
STAT1 P42224 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 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
SCHEMBL6504884 0.81 FAAH (0.44) FAAHGAAL3MBTL1HPGDHSD17B10
SCHEMBL30890827 0.75 FAAH (0.46) FAAHGAAL3MBTL1HPGDHSD17B10
SCHEMBL8507123 0.75 HPGD (0.67) L3MBTL1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL11089043 0.74 HPGD (0.51) GAAL3MBTL1HPGDRAB9ASMN1; SMN2
SCHEMBL17773307 0.74 RAB9A (0.47) FAAHL3MBTL1HPGDRAB9ASMN1; SMN2
SCHEMBL6695897 0.74 NPC1 (0.51) GAAL3MBTL1HPGDHSD17B10RAB9A
SCHEMBL30890579 0.74 HPGD (0.65) GAAHPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL3416627 0.73 RIPK1 (0.52) L3MBTL1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL7801637 0.73 ALDH1A1 (0.55) L3MBTL1HPGDHSD17B10RAB9ASMN1; SMN2
SCHEMBL6698851 0.73 NPC1 (0.50) GAAL3MBTL1HPGDRAB9ASMN1; SMN2

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