SCHEMBL8901158

SCHEMBL8901158

O=C(O)C(O)c1ccc(NCCNCC(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.64
ADRB1 P08588 19/20 0.64
ADRB2 P07550 9/20 0.64

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
SCHEMBL8901163 1.00 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL9271485 0.85 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL9271478 0.85 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL5704066 0.84 ADRB3 (0.74) ADRB3ADRB1ADRB2
SCHEMBL5704064 0.84 ADRB3 (0.74) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4585124 0.83 ADRB3 (0.73) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4585120 0.83 ADRB3 (0.73) ADRB3ADRB1ADRB2
SCHEMBL5703943 0.81 ADRB3 (0.86) ADRB3ADRB1ADRB2
SCHEMBL6132845 0.81 ADRB3 (0.86) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4585906 0.81 ADRB3 (0.85) ADRB3ADRB1ADRB2

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
WO-1997021666-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO disclosed