SCHEMBL28067345

SCHEMBL28067345

CCNCC(O)c1cc(OC)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.69
ADRB1 P08588 1/20 0.69
ADRB3 P13945 1/20 0.69
ADRA1A P35348 3/20 0.65
ADRA2A P08913 2/20 0.65
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
TSHR P16473 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CYP2D6 P10635 2/20 0.51
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
HTT P42858 1/20 0.49
CA1 P00915 1/20 0.43

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
SCHEMBL10086096 0.82 ADRA1A (0.75) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL29825075 0.82 ADRA1A (0.75) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL15174218 0.82 ADRA1A (0.65) ADRB2ADRB1ADRB3ADRA1AADRA2A
Hydrochloric Acid SCHEMBL10365566 0.81 ADRA1A (0.73) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL11098461 0.81 ADRB2 (0.68) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL16261302 0.80 ADRA1A (0.79) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL29172261 0.80 ADRA1A (0.71) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL15756621 0.80 ADRA1A (0.71) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL29367511 0.79 ADRA1A (0.74) ADRB2ADRB1ADRB3ADRA1AADRA2A
SCHEMBL9186632 0.79 ADRA1A (0.74) ADRB2ADRB1ADRB3ADRA1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105622434-B The preparation method of 1 (2,5 Dimethoxyphenyl) 2 ethylaminoethanols 天津英吉诺科技有限公司 2018-03-13 CN claimed
CN-105622434-A Preparation method of 1-(2,5-dimethoxy phenyl)-2-aminoethanol TIANJIN INGENOCHEM TECH CO LTD 2016-06-01 CN claimed
CN-105622434-B The preparation method of 1 (2,5 Dimethoxyphenyl) 2 ethylaminoethanols 天津英吉诺科技有限公司 2018-03-13 CN disclosed
CN-105622434-A Preparation method of 1-(2,5-dimethoxy phenyl)-2-aminoethanol TIANJIN INGENOCHEM TECH CO LTD 2016-06-01 CN disclosed