SCHEMBL9763391

SCHEMBL9763391

O=C(O)c1ccc(CCCOCCCCCCNCC(O)c2ccc(O)c(CO)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.77
ADRB3 P13945 13/20 0.77
ADRB1 P08588 13/20 0.77
KDM4E B2RXH2 2/20 0.77
MEN1 O00255 2/20 0.77
TP53 P04637 2/20 0.77
CYP3A4 P08684 2/20 0.77
MAPK1 P28482 2/20 0.77
KMT2A Q03164 2/20 0.77
HTR1A P08908 1/20 0.77
CHRM5 P08912 1/20 0.77
DRD2 P14416 1/20 0.77
ADRA2B P18089 1/20 0.77
DRD4 P21917 1/20 0.77
SLC6A2 P23975 1/20 0.77
FPR3 P25089 1/20 0.77
ADRA1D P25100 1/20 0.77
HTR1D P28221 1/20 0.77
HTR1B P28222 1/20 0.77
HTR2A P28223 1/20 0.77

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
SCHEMBL9762631 0.92 ADRB2 (0.74) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL9762696 0.92 ADRB2 (0.73) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL14017126 0.89 ADRB2 (0.96) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL4454918 0.89 ADRB2 (0.96) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL9763132 0.89 ADRB2 (0.70) ADRB2ADRB3ADRB1KDM4EMEN1
Benzoic Acid SCHEMBL10700435 0.89 ADRB2 (0.81) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL9763577 0.88 ADRB2 (0.69) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL4868000 0.87 ADRB2 (0.78) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL14030775 0.87 ADRB2 (0.78) ADRB2ADRB3ADRB1KDM4EMEN1
SCHEMBL9763423 0.87 ADRB2 (0.72) ADRB2ADRB3ADRB1KDM4EMEN1

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
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed