SCHEMBL29291394

SCHEMBL29291394

CC(NCO)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.54
HIF1A Q16665 4/20 0.50
ADRB1 P08588 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRB2 P07550 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRB3 P13945 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
NFKB1 P19838 1/20 0.50
DRD1 P21728 1/20 0.50
HTR7 P34969 1/20 0.50
ADRA1B P35368 1/20 0.50
DRD3 P35462 1/20 0.50
RAB9A P51151 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 4/20 0.49
KDM4E B2RXH2 2/20 0.49

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
SCHEMBL16948184 0.81 OPRK1 (0.50) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL334407 0.81 OPRK1 (0.50) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL10282520 0.81 HIF1A (0.54) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL10282560 0.81 HIF1A (0.54) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL16948197 0.81 OPRK1 (0.50) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL335330 0.81 OPRK1 (0.50) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL16948173 0.81 OPRK1 (0.50) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL414424 0.79 HIF1A (0.55) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL10305659 0.79 HIF1A (0.55) OPRK1HIF1AADRB1ADRA1AADRB2
SCHEMBL410935 0.79 HIF1A (0.55) OPRK1HIF1AADRB1ADRA1AADRB2

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
CN-113717068-A Phenyladrenaline impurity and preparation method and application thereof 广州佳途科技股份有限公司 2021-11-30 CN disclosed