SCHEMBL9299586

SCHEMBL9299586

COCCN(C)C(=O)c1ccc(Br)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
NAMPT P43490 4/20 0.44
HDAC4 P56524 1/20 0.44
HTT P42858 1/20 0.43
ITK Q08881 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.42
LRRK2 Q5S007 2/20 0.41
RAB9A P51151 2/20 0.40
DRD2 P14416 1/20 0.40
NPC1 O15118 1/20 0.39
CHRNA1 P02708 1/20 0.39
CHRNG P07510 1/20 0.39
CHRNB1 P11230 1/20 0.39
CHRNB2 P17787 1/20 0.39
SLC6A2 P23975 1/20 0.39
CHRNB4 P30926 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL19321959 0.87 HTR7 (0.49) HTR7TLR8TLR7NAMPTHDAC4
SCHEMBL12218002 0.84 HTR7 (0.47) HTR7TLR8TLR7NAMPTHDAC4
SCHEMBL7884002 0.84 HPGD (0.49) TLR8TLR7HDAC4HTTHPGD
SCHEMBL847739 0.84 HPGD (0.45) TLR8TLR7HDAC4HTTALDH1A1
SCHEMBL19354603 0.83 HTR7 (0.47) HTR7TLR8TLR7NAMPTHDAC4
SCHEMBL9300210 0.81 PDK2 (0.47) NAMPTHDAC4ALDH1A1HPGD
SCHEMBL7882856 0.81 HPGD (0.43) TLR8TLR7HDAC4HTTALDH1A1
SCHEMBL19354779 0.81 TLR8 (0.51) HTR7TLR8TLR7NAMPTHDAC4
SCHEMBL19317246 0.81 HTR7 (0.48) HTR7TLR8TLR7NAMPTHDAC4
SCHEMBL28506371 0.80 NAMPT (0.51) TLR8TLR7NAMPTHDAC4ITK

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
US-5356893-A Antidepressants, nervous system disorders GLAXO GROUP LIMITED (GB) 1994-10-18 US disclosed
EP-0533266-A1 Benzanilide derivatives as 5-HT1D antagonists GLAXO GROUP LIMITED (GB) 1993-03-24 EP disclosed