SCHEMBL28529308

SCHEMBL28529308

COCCNCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.68
▸ DRD2 P14416 6/20 0.68
▸ DRD3 P35462 6/20 0.68
▸ ADRB1 P08588 6/20 0.68
▸ DRD1 P21728 5/20 0.68
▸ DRD4 P21917 5/20 0.68
▸ MAPT P10636 6/20 0.59
▸ TDP1 Q9NUW8 6/20 0.59
▸ KDM4E B2RXH2 6/20 0.59
▸ HSD17B10 Q99714 5/20 0.59
▸ TSHR P16473 4/20 0.59
▸ MEN1 O00255 3/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ ADRB3 P13945 3/20 0.59
▸ MTOR P42345 3/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ CYP1A2 P05177 3/20 0.59
▸ HIF1A Q16665 3/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ CYP3A4 P08684 2/20 0.59

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
SCHEMBL8557913 0.91 ADRB2 (0.65) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL8557910 0.91 ADRB2 (0.65) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL31530706 0.85 ADRB2 (0.68) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL31530707 0.85 ADRB2 (0.68) ADRB2DRD2DRD3ADRB1DRD1
Oxalic Acid SCHEMBL8596380 0.85 ADRB2 (0.59) ADRB2DRD2DRD3ADRB1DRD1
Oxalic Acid SCHEMBL8557358 0.85 ADRB2 (0.59) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL28189397 0.84 ADRB2 (0.63) ADRB2DRD2DRD3ADRB1DRD1
Hydrochloric Acid SCHEMBL29576463 0.83 ADRB2 (0.64) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL3503273 0.83 ADRB2 (0.65) ADRB2DRD2DRD3ADRB1DRD1
SCHEMBL3215110 0.83 ADRB2 (0.65) ADRB2DRD2DRD3ADRB1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225672-B Methoxy norepinephrine derivative, immunogen, specific antibody, preparation method and application thereof 长沙博源医疗科技有限公司 2023-03-28 — — CN disclosed
CN-109444416-B Methoxy norepinephrine luminescent immunoassay kit 郑州安图生物工程股份有限公司 2021-05-25 — — CN disclosed
CN-112225672-A Methoxy norepinephrine derivative, immunogen, specific antibody, preparation method and application thereof 湖南苏阳医疗科技有限公司 2021-01-15 — — CN disclosed
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