SCHEMBL5206673

SCHEMBL5206673

CNC(=O)c1ccccc1CC(O)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRB3 P13945 1/20 0.51
TSHR P16473 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
NFKB1 P19838 1/20 0.51
DRD1 P21728 1/20 0.51
HTR7 P34969 1/20 0.51
ADRA1A P35348 1/20 0.51
ADRA1B P35368 1/20 0.51
DRD3 P35462 1/20 0.51
RAB9A P51151 1/20 0.51
SLC6A3 Q01959 1/20 0.51
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL21590268 0.75 GAA (0.49) LMNAGAAKDM4ECXCR2PLK1
SCHEMBL9117544 0.72 HIF1A (0.46) HIF1AADRB2ADRB1HTR1AADRA2A
SCHEMBL9206189 0.72 HIF1A (0.46) HIF1AADRB2ADRB1HTR1AADRA2A
SCHEMBL5954191 0.69 GAA (0.57) TSHRLMNAGAAKDM4EPLK1
Phenylephrine SCHEMBL5958774 0.69 HIF1A (0.97) HIF1AADRB2ADRB1HTR1AADRA2A
SCHEMBL20876255 0.69 PPARA (0.43) TSHRNFKB1RAB9ALMNAGAA
SCHEMBL9081796 0.69 GAA (0.45) LMNAGAAKDM4ECXCR2PLK1
Phenylephrine SCHEMBL4712 0.69 HIF1A (1.00) HIF1AADRB2ADRB1HTR1AADRA2A
Phenylephrine SCHEMBL4711 0.69 HIF1A (1.00) HIF1AADRB2ADRB1HTR1AADRA2A
Phenylephrine SCHEMBL895602 0.69 HIF1A (1.00) HIF1AADRB2ADRB1HTR1AADRA2A

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