SCHEMBL7708992

SCHEMBL7708992

COC(=O)Cc1ccc(NCC(C)NCC(O)c2cccc(Cl)c2)cc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.59
▸ ADRB3 P13945 20/20 0.59
▸ ADRB1 P08588 19/20 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
SCHEMBL7714838 0.91 ADRB3 (0.69) ADRB2ADRB3ADRB1
SCHEMBL7714629 0.91 ADRB3 (0.69) ADRB2ADRB3ADRB1
SCHEMBL9272067 0.83 ADRB2 (0.81) ADRB2ADRB3ADRB1
SCHEMBL7716895 0.82 ADRB3 (0.57) ADRB2ADRB3ADRB1
SCHEMBL7708588 0.79 ADRB3 (0.77) ADRB2ADRB3ADRB1
SCHEMBL7708585 0.79 ADRB3 (0.77) ADRB2ADRB3ADRB1
SCHEMBL7714611 0.79 ADRB3 (0.73) ADRB2ADRB3ADRB1
SCHEMBL7712899 0.78 ADRB3 (0.74) ADRB2ADRB3ADRB1
SCHEMBL7712844 0.77 ADRB3 (0.55) ADRB2ADRB3ADRB1
SCHEMBL7714864 0.77 ADRB3 (0.58) 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
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
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