SCHEMBL11094191

SCHEMBL11094191

CC(C)(Cc1ccccc1)NCC(O)c1cccc(O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.66
ADRB1 P08588 5/20 0.56
HIF1A Q16665 3/20 0.56
ADRB3 P13945 3/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
TSHR P16473 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
NFKB1 P19838 1/20 0.56
DRD1 P21728 1/20 0.56
HTR7 P34969 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
DRD3 P35462 1/20 0.56
RAB9A P51151 1/20 0.56
SLC6A3 Q01959 1/20 0.56
LMNA P02545 3/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL9641345 0.85 ADRB2 (0.65) ADRB2ADRB1ADRB3LMNA
SCHEMBL6479693 0.85 ADRB2 (0.67) ADRB2ADRB1HIF1AADRB3HTR1A
Hydrochloric Acid SCHEMBL11741655 0.83 HIF1A (0.65) ADRB2ADRB1HIF1AADRB3HTR1A
SCHEMBL6010824 0.81 HIF1A (0.70) ADRB2ADRB1HIF1AADRB3HTR1A
Acetonitrile SCHEMBL11575978 0.80 ADRB2 (0.61) ADRB2ADRB1HIF1AADRB3HTR1A
Hydrochloric Acid SCHEMBL10614245 0.80 HIF1A (0.69) ADRB2ADRB1HIF1AADRB3HTR1A
Acetonitrile SCHEMBL11576215 0.79 ADRB2 (0.60) ADRB2ADRB1HIF1AADRB3HTR1A
SCHEMBL10889941 0.79 ADRB2 (0.57) ADRB2ADRB1ADRB3
SCHEMBL9481583 0.79 ADRB2 (0.62) ADRB2ADRB1HIF1AADRB3TSHR
SCHEMBL9467996 0.79 ADRB3 (0.59) ADRB2ADRB1ADRB3

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-0103830-A2 Phenylethylemine derivatires as growth stimulators BAYER AG (DE) 1984-03-28 EP disclosed