SCHEMBL10488552

SCHEMBL10488552

CSc1ccc(CCCCOCCCCCCNCC(O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 12/20 0.64
CHRM3 P20309 2/20 0.64
ADRB3 P13945 17/20 0.60
ADRB1 P08588 10/20 0.59
KDM4E B2RXH2 1/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
DRD4 P21917 1/20 0.54
SLC6A2 P23975 1/20 0.54
FPR3 P25089 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
SLC6A4 P31645 1/20 0.54
GPR183 P32249 1/20 0.54
HTR7 P34969 1/20 0.54

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
SCHEMBL10488196 0.89 ADRB2 (0.65) ADRB2CHRM3ADRB3ADRB1KDM4E
SCHEMBL10706286 0.88 ADRB2 (0.66) ADRB2CHRM3ADRB3ADRB1KDM4E
SCHEMBL10488095 0.87 ADRB2 (0.65) ADRB2CHRM3ADRB3ADRB1KDM4E
SCHEMBL10488114 0.86 ADRB2 (0.62) ADRB2CHRM3ADRB3ADRB1KDM4E
SCHEMBL10488131 0.86 ADRB3 (0.71) ADRB2CHRM3ADRB3ADRB1
SCHEMBL10488200 0.85 ADRB2 (0.62) ADRB2CHRM3ADRB3ADRB1KDM4E
SCHEMBL10488100 0.85 ADRB3 (0.53) ADRB2CHRM3ADRB3
SCHEMBL10488179 0.85 ADRB2 (0.60) ADRB2CHRM3ADRB3ADRB1KDM4E
SCHEMBL10488537 0.84 ADRB2 (0.61) ADRB2CHRM3ADRB3ADRB1KDM4E
SCHEMBL10866976 0.84 ADRB2 (0.63) ADRB2CHRM3ADRB3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP claimed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP claimed
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed