SCHEMBL11274264

SCHEMBL11274264

COc1ccccc1OCCNCC(O)COc1ccc(O)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.81
ADRB1 P08588 4/20 0.81
ADRB3 P13945 4/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
DRD2 P14416 3/20 0.59
KDM4E B2RXH2 1/20 0.59
TLR4 O00206 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
KCNK2 O95069 1/20 0.59
ABCB11 O95342 1/20 0.59
APP P05067 1/20 0.59
ABCB1 P08183 1/20 0.59
HTR1A P08908 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
GAA P10253 1/20 0.59

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
SCHEMBL22279186 1.00 ADRB2 (0.81) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11364046 0.95 ADRB2 (0.73) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL16550063 0.88 ADRB2 (0.73) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11279285 0.88 ADRB1 (0.66) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL27773039 0.86 ADRB2 (0.68) ADRB2ADRB1ADRB3ADRA1A
SCHEMBL17950815 0.86 ADRB2 (0.70) ADRB2ADRB1ADRB3KMT2ADRD2
SCHEMBL11279000 0.85 ADRB1 (0.60) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL9320639 0.84 ADRB2 (0.74) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL11275123 0.84 ADRB2 (0.74) ADRB2ADRB1ADRB3KMT2AMEN1
Hydrochloric Acid SCHEMBL10346478 0.83 ADRB2 (0.72) ADRB2ADRB1ADRB3KMT2AMEN1

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
EP-0064487-A1 New substituted 3-(parasubstituted)phenoxy-1-alkylamino-propanol-2-s, as well as process for their preparation, pharmaceutical preparations containing same, and method for treating cardiac failure Aktiebolaget Hässle (SE) 1982-11-10 EP disclosed