SCHEMBL28290091

SCHEMBL28290091

NCC(O)c1ccc(CO)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 5/20 0.67
TDP1 Q9NUW8 4/20 0.67
KDM4E B2RXH2 4/20 0.67
ADRB2 P07550 4/20 0.67
MAPT P10636 3/20 0.67
RECQL P46063 3/20 0.67
APEX1 P27695 3/20 0.67
TAAR1 Q96RJ0 3/20 0.67
ADRB3 P13945 3/20 0.67
HPGD P15428 2/20 0.67
LMNA P02545 2/20 0.67
MAPK1 P28482 2/20 0.67
ADRB1 P08588 2/20 0.67
ADRA2A P08913 2/20 0.67
ADRA2B P18089 2/20 0.67
ADRA2C P18825 2/20 0.67
ADRA1D P25100 2/20 0.67
CYP3A4 P08684 2/20 0.67
MEN1 O00255 1/20 0.67
ADORA3 P0DMS8 1/20 0.67

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
SCHEMBL7152531 0.85 ADRB2 (0.67) BLMTDP1KDM4EADRB2MAPT
SCHEMBL2852257 0.85 ADRB2 (0.67) BLMTDP1KDM4EADRB2MAPT
L-Norepinephrine SCHEMBL2610 0.80 TDP1 (1.00) BLMTDP1KDM4EADRB2MAPT
Norepinephrine SCHEMBL29399946 0.80 TDP1 (1.00) BLMTDP1KDM4EADRB2MAPT
L-Norepinephrine SCHEMBL29371849 0.80 TDP1 (1.00) BLMTDP1KDM4EADRB2MAPT
L-Norepinephrine SCHEMBL3489077 0.80 TDP1 (1.00) BLMTDP1KDM4EADRB2MAPT
Norepinephrine SCHEMBL2429869 0.80 TDP1 (1.00) BLMTDP1KDM4EADRB2MAPT
Norepinephrine SCHEMBL2609 0.80 TDP1 (1.00) BLMTDP1KDM4EADRB2MAPT
L-Norepinephrine SCHEMBL29460319 0.80 TDP1 (1.00) BLMTDP1KDM4EADRB2MAPT
Norepinephrine SCHEMBL2249 0.79 BLM (0.96) BLMTDP1KDM4EADRB2MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109694376-B Beta-beta2Receptor agonist compounds and their use in the treatment of asthma 黑龙江中医药大学 2019-12-27 CN disclosed
CN-109694376-A Novel β2Receptor agonist compounds and its treatment asthma class disease purposes 黑龙江中医药大学 2019-04-30 CN disclosed