SCHEMBL4868561

SCHEMBL4868561

CNCC(O)c1cccc(O)c1I

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.66
ADRA2B P18089 7/20 0.66
ADRA2C P18825 7/20 0.66
ADRB1 P08588 5/20 0.66
ADRB3 P13945 4/20 0.66
ADRA1A P35348 4/20 0.49
HIF1A Q16665 4/20 0.47
ADRB2 P07550 4/20 0.47
TSHR P16473 2/20 0.47
DRD1 P21728 2/20 0.47
ADRA1B P35368 2/20 0.47
DRD3 P35462 2/20 0.47
HTR1A P08908 2/20 0.47
NFKB1 P19838 1/20 0.47
HTR7 P34969 1/20 0.47
RAB9A P51151 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM4E B2RXH2 4/20 0.46
BLM P54132 3/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2670073 0.82 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL29836188 0.82 ADRA2A (0.69) ADRA2AADRA2BADRA2CADRB1ADRB3
Hydrochloric Acid SCHEMBL1815110 0.81 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRB1ADRB3
Hydrochloric Acid SCHEMBL4784530 0.80 ADRA2A (0.67) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL1819427 0.77 ADRA2A (0.62) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL11992119 0.71 ADRA2A (0.54) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL6633790 0.69 ADRA2A (0.53) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL29176367 0.68 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL13188558 0.68 SLC6A2 (0.52) ADRA2AADRA2BADRA2CADRB1ADRB3
SCHEMBL9767993 0.67 ADRA2A (0.68) ADRA2AADRA2BADRA2CADRB1ADRB3

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
WO-2008151179-A2 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-11 WO disclosed