SCHEMBL7708865

SCHEMBL7708865

CC(CNc1ccc(CC(=O)O)cc1C(F)(F)F)NCC(O)c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 18/20 0.69
▸ ADRB2 P07550 16/20 0.69
▸ ADRB1 P08588 16/20 0.69
▸ ADRA1D P25100 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ ADRA1B P35368 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SLC2A1 P11166 1/20 0.50

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
SCHEMBL7716895 0.91 ADRB3 (0.57) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL7716930 0.88 ADRB3 (0.73) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL7714620 0.87 ADRB3 (0.74) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL9268240 0.82 ADRB2 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7714838 0.81 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL7714629 0.81 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL9268335 0.81 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7712901 0.80 ADRB3 (0.64) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL9267558 0.78 ADRB3 (0.73) ADRB3ADRB2ADRB1ADRA1DADRA1A
SCHEMBL7717196 0.77 ADRB3 (0.63) ADRB3ADRB2ADRB1ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 — — EP claimed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 — — EP claimed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 — — WO claimed
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 — — EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 — — US disclosed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 — — EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 — — WO disclosed
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