SCHEMBL10488173

SCHEMBL10488173

COCCCc1ccc(CCCCOCCCCCNCC(O)c2ccc(O)c(NC=O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.69
ADRB1 P08588 11/20 0.69
ADRB3 P13945 11/20 0.69
KDM4E B2RXH2 1/20 0.57
HTR1A P08908 1/20 0.57
CHRM5 P08912 1/20 0.57
DRD2 P14416 1/20 0.57
ADRA2B P18089 1/20 0.57
DRD4 P21917 1/20 0.57
SLC6A2 P23975 1/20 0.57
FPR3 P25089 1/20 0.57
ADRA1D P25100 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
SLC6A4 P31645 1/20 0.57
GPR183 P32249 1/20 0.57
HTR7 P34969 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL2056281 0.84 ADRB2 (0.65) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL10709904 0.83 ADRB2 (0.59) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL15277792 0.82 ADRB2 (0.69) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL2056232 0.82 ADRB2 (0.65) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL6675994 0.82 ADRB2 (0.75) ADRB2ADRB1ADRB3KDM4EHTR1A
SCHEMBL11671740 0.82 ADRB2 (0.61) ADRB2ADRB1ADRB3DRD2SLC6A4
SCHEMBL266486 0.81 ADRB2 (1.00) ADRB2ADRB1ADRB3HTR1AHTR1B
SCHEMBL5116481 0.81 ADRB2 (0.97) ADRB2ADRB1ADRB3HTR1AHTR1B
SCHEMBL266487 0.81 ADRB2 (1.00) ADRB2ADRB1ADRB3HTR1AHTR1B
SCHEMBL5116485 0.81 ADRB2 (0.97) ADRB2ADRB1ADRB3HTR1AHTR1B

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 6 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
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP 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