SCHEMBL28565282

SCHEMBL28565282

CCCCNCCc1ccc(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.67
DRD3 P35462 3/20 0.67
ADRB2 P07550 2/20 0.67
ADRA1A P35348 2/20 0.67
ADORA3 P0DMS8 1/20 0.67
CHRM1 P11229 1/20 0.67
ADRA2B P18089 1/20 0.67
ADRA2C P18825 1/20 0.67
SLC6A2 P23975 1/20 0.67
SLC6A4 P31645 1/20 0.67
PTGS2 P35354 1/20 0.67
HRH1 P35367 1/20 0.67
OPRK1 P41145 1/20 0.67
SLC6A3 Q01959 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
MAPT P10636 6/20 0.61
HSD17B10 Q99714 5/20 0.61
HIF1A Q16665 4/20 0.61

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
SCHEMBL3420775 0.95 ADRB2 (0.69) DRD1DRD3ADRB2ADRA1AADORA3
SCHEMBL18546398 0.93 ADRB2 (0.72) DRD1DRD3ADRB2ADRA1AADORA3
SCHEMBL29245172 0.93 ADRB2 (0.72) DRD1DRD3ADRB2ADRA1AADORA3
SCHEMBL9503350 0.89 MAPT (0.65) DRD1DRD3ADRB2ADRA1AADORA3
SCHEMBL11811440 0.87 ADRB2 (0.73) DRD1DRD3ADRB2ADRA1AADORA3
SCHEMBL11806768 0.87 DRD1 (0.71) DRD1DRD3ADRB2ADRA1AADORA3
SCHEMBL30088530 0.87 DRD1 (0.71) DRD1DRD3ADRB2ADRA1AADORA3
SCHEMBL5291849 0.87 ADRB2 (0.51) DRD1DRD3ADRB2ADRA1AADORA3
Hydrochloric Acid SCHEMBL11809070 0.86 ADRB2 (0.71) DRD1DRD3ADRB2ADRA1AADORA3
Bromide SCHEMBL11808599 0.86 ADRB2 (0.71) DRD1DRD3ADRB2ADRA1AADORA3

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
CN-107137338-B Hair dyeing method based on surface coating principle 苏州蓬拓生物医学科技有限公司 2021-04-06 CN claimed
CN-107137338-B Hair dyeing method based on surface coating principle 苏州蓬拓生物医学科技有限公司 2021-04-06 CN disclosed