SCHEMBL30892159

SCHEMBL30892159

Oc1ccc(C(O)CNCc2ccccc2)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.64
ADRB2 P07550 8/20 0.62
ADRA1D P25100 3/20 0.60
SLC16A3 O15427 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 4/20 0.57
TDP1 Q9NUW8 3/20 0.57
KDM4E B2RXH2 3/20 0.57
ADRB1 P08588 3/20 0.57
MTOR P42345 3/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
DRD2 P14416 2/20 0.57
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
ADRA1A P35348 2/20 0.57

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
SCHEMBL22551319 1.00 ADRB3 (0.64) ADRB3ADRB2ADRA1DSLC16A3MEN1
Hydrochloric Acid SCHEMBL27537984 0.98 ADRB3 (0.63) ADRB3ADRB2ADRA1DSLC16A3MEN1
SCHEMBL9768014 0.85 ADRB2 (0.69) ADRB3ADRB2ADRA1DADRB1DRD2
SCHEMBL6458060 0.82 LMNA (0.64) ADRB3ADRB2ADRA1DSLC16A3MEN1
SCHEMBL1849603 0.81 LMNA (0.77) ADRB2SLC16A3MEN1KMT2ALMNA
SCHEMBL7278068 0.81 LMNA (0.77) ADRB2SLC16A3MEN1KMT2ALMNA
SCHEMBL2289990 0.81 LMNA (0.77) ADRB2SLC16A3MEN1KMT2ALMNA
SCHEMBL23023079 0.81 CYP2D6 (0.59) ADRB3ADRB2ADRA1DSLC16A3MEN1
SCHEMBL10616280 0.81 SLC16A3 (0.84) ADRB3ADRB2SLC16A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6463866 0.81 LMNA (0.67) ADRB3ADRB2ADRA1DSLC16A3MEN1

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
CN-113748101-B Process for the preparation of enantiomerically pure norepinephrine 爱德蒙制药责任有限公司 2024-04-02 CN disclosed