SCHEMBL7051961

SCHEMBL7051961

Oc1ccccc1C1CCCC(NC[C@H](O)c2cccc(Cl)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.43
ADRB1 P08588 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ADRB2 P07550 1/20 0.42

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
SCHEMBL7052359 0.86 ADRB3 (0.47) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL7057281 0.85 ADRB3 (0.46) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL8071558 0.85 ADRB3 (0.46) ADRB3ADRB1ADRB2
SCHEMBL8076934 0.84 ADRB3 (0.44) ADRB3ADRB1KDM4EADRB2
SCHEMBL7056462 0.84 ADRB3 (0.44) ADRB3ADRB1KDM4EADRB2
Hydrochloric Acid SCHEMBL7055808 0.83 ADRB2 (0.43) ADRB3ADRB1KDM4EADRB2
Hydrochloric Acid SCHEMBL7055811 0.83 ADRB2 (0.43) ADRB3ADRB1KDM4EADRB2
SCHEMBL4070956 0.83 ADRB3 (0.43) ADRB3ADRB1KDM4E
SCHEMBL13799342 0.83 ADRB3 (0.43) ADRB3ADRB1KDM4E
SCHEMBL7052344 0.83 ADRB3 (0.43) ADRB3ADRB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0940387-B1 PHENYLETHANOLAMINE COMPOUNDS USEFUL AS BETA3 AGONIST, PROCESS FOR PRODUCING THE SAME, AND INTERMEDIATES IN THE PRODUCTION OF THE SAME MITSUBISHI PHARMA CORP (JP) 2003-05-07 EP disclosed
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