SCHEMBL8617073

SCHEMBL8617073

CCCC(=O)N1CCc2cc(Br)c(O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTPN11 Q06124 1/20 0.41
KDM1A O60341 1/20 0.41
KDM1B Q8NB78 1/20 0.41
NOTUM Q6P988 4/20 0.40
XIAP P98170 4/20 0.40
BIRC2 Q13490 4/20 0.40
POLB P06746 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 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
SCHEMBL8148793 0.81 NOTUM (0.54) MAPTNPC1GAARAB9AMEN1
SCHEMBL8619530 0.76 TRIM24 (0.41) TSHRMAPTNPC1GAAHTT
SCHEMBL6099890 0.75 NOTUM (0.54) MAPTNPC1GAARAB9AMEN1
SCHEMBL8613836 0.75 KDM1A (0.40) TSHRMAPTNPC1GAAHTT
SCHEMBL23063855 0.74 CYP11B1 (0.50) TSHRMAPTMEN1KMT2AXIAP
SCHEMBL16479228 0.74 NOTUM (0.66) TSHRMAPTNPC1GAAHTT
SCHEMBL8127939 0.73 MAPT (0.54) TSHRMAPTNPC1GAAHTT
SCHEMBL8134991 0.73 TSHR (0.51) TSHRMAPTNPC1GAAHTT
SCHEMBL8613724 0.73 MAPT (0.54) TSHRMAPTNPC1GAAHTT
SCHEMBL7644001 0.73 NOTUM (0.67) TSHRMAPTNPC1GAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998050346-A2 ACETAMIDE AND UREA DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed