SCHEMBL8078592

SCHEMBL8078592

CC(=O)Oc1ccc(C2CCCC(NCC(O)c3cccc(Cl)c3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.49
ADRB1 P08588 4/20 0.49
BCHE P06276 1/20 0.47

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
SCHEMBL5978241 0.92 BCHE (0.51) ADRB3ADRB1BCHE
SCHEMBL8078597 0.92 ADRB3 (0.49) ADRB3ADRB1BCHE
SCHEMBL8078590 0.92 ADRB3 (0.49) ADRB3ADRB1BCHE
SCHEMBL7052755 0.89 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL8063492 0.89 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL7055661 0.86 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL7055665 0.86 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL7058084 0.86 ADRB3 (0.50) ADRB3ADRB1
Hydrochloric Acid SCHEMBL7056016 0.85 BCHE (0.49) ADRB3ADRB1BCHE
SCHEMBL6278114 0.85 ADRB3 (0.47) ADRB3ADRB1BCHE

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
US-6069176-A PHENYLETHANOLAMINE COMPOUNDS WITH A BETA-3 ADRENERGIC RECEPTOR STIMULATING EFFECT, USE AS A THERAPY FOR URINARY INCONTINENCE MITSUBISHI-TOKYO PHARMACEUTICALS, INC. (JP) 2000-05-30 US disclosed
EP-0940387-A1 PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME TOKYO TANABE COMPANY LIMITED (JP) 1999-09-08 EP disclosed