SCHEMBL9268240

SCHEMBL9268240

CC(CNc1ccc(CC(=O)O)cc1)NCC(O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 1.00
▸ ADRB3 P13945 20/20 1.00
▸ ADRB1 P08588 19/20 1.00

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
SCHEMBL9268335 0.90 ADRB3 (1.00) ADRB2ADRB3ADRB1
SCHEMBL9268329 0.89 ADRB3 (0.81) ADRB2ADRB3ADRB1
SCHEMBL9272067 0.89 ADRB2 (0.81) ADRB2ADRB3ADRB1
SCHEMBL7708585 0.87 ADRB3 (0.77) ADRB2ADRB3ADRB1
SCHEMBL7708588 0.87 ADRB3 (0.77) ADRB2ADRB3ADRB1
SCHEMBL4479167 0.86 ADRB3 (0.80) ADRB2ADRB3ADRB1
SCHEMBL7714620 0.85 ADRB3 (0.74) ADRB2ADRB3ADRB1
SCHEMBL7712899 0.85 ADRB3 (0.74) ADRB2ADRB3ADRB1
Hydrochloric Acid SCHEMBL4472487 0.85 ADRB3 (0.78) ADRB2ADRB3ADRB1
SCHEMBL7714611 0.85 ADRB3 (0.73) ADRB2ADRB3ADRB1

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
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 — — WO claimed
WO-1995033724-A1 PHENETHANOLAMINE DERIVATIVES AND THEIR USE AS ATYPICAL BETA-ADRENOCEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1995-12-14 — — WO disclosed
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