SCHEMBL5206679

SCHEMBL5206679

CN(CC(O)c1cccc(O)c1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
KYNU Q16719 1/20 0.49
TACR1 P25103 1/20 0.47
HIF1A Q16665 4/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRB3 P13945 1/20 0.47
TSHR P16473 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
NFKB1 P19838 1/20 0.47
DRD1 P21728 1/20 0.47
HTR7 P34969 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
RAB9A P51151 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL9722083 0.78 ALOX5 (0.56) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL10551323 0.78 ALOX5 (0.56) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL6491739 0.77 HIF1A (0.56) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL30389656 0.77 KYNU (0.51) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL24951572 0.77 SLC22A1 (0.59) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL8439197 0.77 SLC22A1 (0.59) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL6491746 0.77 SLC22A1 (0.59) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL10883562 0.76 HIF1A (0.44) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL10723837 0.75 HIF1A (0.54) KYNUHIF1AADRB2ADRB1HTR1A
SCHEMBL31415096 0.75 KYNU (0.43) KYNUHIF1AADRB2ADRB1HTR1A

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-1633715-B1 2-(6-AMINO-PYRIDIN-3-YL)-2-HYDROXYETHYLAMINE DERIVATIVES AS BETA 2-ADRENOCEPTORS AGONISTS PFIZER LTD (GB) 2007-09-05 EP disclosed