SCHEMBL21556889

SCHEMBL21556889

Cc1cc(O)c(O)cc1[C@@H](O)CN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.59
ADRA2A P08913 3/20 0.59
ADRA2B P18089 3/20 0.59
ADRA2C P18825 3/20 0.59
ADRA1A P35348 3/20 0.59
CYP3A4 P08684 2/20 0.59
HSD17B10 Q99714 2/20 0.59
BLM P54132 6/20 0.57
MAPT P10636 4/20 0.57
RECQL P46063 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
KDM4E B2RXH2 4/20 0.57
APEX1 P27695 3/20 0.57
RAD52 P43351 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4C Q9H3R0 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 2/20 0.48
ADRA1B P35368 2/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL16216339 0.83 LMNA (0.40) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1704057 0.79 ADRB2 (0.65) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL5943635 0.75 TAAR1 (0.50) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15811782 0.74 ADRB2 (0.59) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL21556945 0.74 ADRB2 (0.59) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL13158583 0.74 ADRA2A (1.00) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL1691820 0.74 ADRA2A (1.00) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15064199 0.72 CYP3A4 (0.43) ADRB2ADRA2AADRA2BADRA2CADRA1A
SCHEMBL15012642 0.72 LMNA (0.56) ADRA1ACYP3A4HSD17B10BLMMAPT
SCHEMBL14138074 0.71 ADRB2 (0.55) ADRB2ADRA2AADRA2BADRA2CADRA1A

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-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP disclosed