SCHEMBL9268335

SCHEMBL9268335

CC(CNc1cccc(CC(=O)O)c1)NCC(O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 1.00
▸ ADRB2 P07550 19/20 1.00
▸ ADRB1 P08588 18/20 0.82

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
SCHEMBL9268240 0.90 ADRB2 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7708588 0.86 ADRB3 (0.77) ADRB3ADRB2ADRB1
SCHEMBL7708585 0.86 ADRB3 (0.77) ADRB3ADRB2ADRB1
SCHEMBL7714620 0.85 ADRB3 (0.74) ADRB3ADRB2ADRB1
SCHEMBL7712899 0.85 ADRB3 (0.74) ADRB3ADRB2ADRB1
SCHEMBL7716930 0.84 ADRB3 (0.73) ADRB3ADRB2ADRB1
SCHEMBL7714611 0.84 ADRB3 (0.73) ADRB3ADRB2ADRB1
SCHEMBL7714872 0.83 ADRB3 (0.73) ADRB3ADRB2ADRB1
SCHEMBL9264106 0.82 ADRB2 (0.73) ADRB3ADRB2ADRB1
SCHEMBL9267558 0.82 ADRB3 (0.73) ADRB3ADRB2ADRB1

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-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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