SCHEMBL7712899

SCHEMBL7712899

Cc1cc(NCC(C)NCC(O)c2cccc(Cl)c2)ccc1CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.74
▸ ADRB2 P07550 19/20 0.74
▸ ADRB1 P08588 19/20 0.74

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
SCHEMBL7708588 0.92 ADRB3 (0.77) ADRB3ADRB2ADRB1
SCHEMBL7708585 0.92 ADRB3 (0.77) ADRB3ADRB2ADRB1
SCHEMBL7714611 0.89 ADRB3 (0.73) ADRB3ADRB2ADRB1
SCHEMBL7714838 0.87 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL7714629 0.87 ADRB3 (0.69) ADRB3ADRB2ADRB1
SCHEMBL9268240 0.85 ADRB2 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7714494 0.85 ADRB3 (0.64) ADRB3ADRB2ADRB1
SCHEMBL7714487 0.85 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL7714568 0.85 ADRB3 (0.61) ADRB3ADRB2ADRB1
SCHEMBL9268335 0.85 ADRB3 (1.00) 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
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 — — EP claimed
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