Arbutamine

Arbutamine

SCHEMBL8367936

O=C(O)C(=O)OCc1ccccc1.Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 14/20 0.57
ADRB1 P08588 7/20 0.57
ADRB3 P13945 6/20 0.54
DRD2 P14416 3/20 0.54
DRD4 P21917 3/20 0.54
DRD3 P35462 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 2/20 0.54
TP53 P04637 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
KMT2A Q03164 2/20 0.54
ADRA1D P25100 2/20 0.54
HTR1A P08908 1/20 0.54
CHRM5 P08912 1/20 0.54
ADRA2B P18089 1/20 0.54
SLC6A2 P23975 1/20 0.54
FPR3 P25089 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 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
Arbutamine SCHEMBL7870502 0.88 ADRB2 (0.58) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL29390265 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL521645 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL3699485 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL20769823 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL29929016 0.84 ADRB2 (0.61) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL7295080 0.83 ADRB2 (0.60) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL40757 0.83 ADRB2 (0.60) ADRB2ADRB1ADRB3DRD2DRD4
Arbutamine SCHEMBL4327619 0.82 ADRB2 (0.59) ADRB2ADRB1ADRB3DRD2DRD4
SCHEMBL10477708 0.79 ADRB2 (0.80) ADRB2ADRB1ADRB3DRD2DRD4

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
US-5874601-A Process of protecting a 1,2-aminoalcohol for reductive amination coupling ABBOTT LABORATORIES (US) 1999-02-23 US claimed
EP-0888282-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING Abbott Laboratories (US) 1999-01-07 EP claimed
WO-1997033857-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING ABBOTT LABORATORIES (US) 1997-09-18 WO claimed
US-5874601-A Process of protecting a 1,2-aminoalcohol for reductive amination coupling ABBOTT LABORATORIES (US) 1999-02-23 US disclosed
EP-0888282-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING Abbott Laboratories (US) 1999-01-07 EP disclosed
WO-1997033857-A1 PROCESS OF PROTECTING A 1,2-AMINOALCOHOL FOR REDUCTIVE AMINATION COUPLING ABBOTT LABORATORIES (US) 1997-09-18 WO disclosed