SCHEMBL7056967

SCHEMBL7056967

O[C@@H](CNC1CCC(c2ccccc2)CC1)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 12/20 0.50
ADRB1 P08588 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ADRB2 P07550 2/20 0.48

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
SCHEMBL5848565 0.89 ADRB2 (0.57) ADRB3ADRB1KDM4EADRB2
SCHEMBL7055707 0.87 KDM4E (0.62) KDM4EADRB2
SCHEMBL7058823 0.83 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL7058826 0.83 ADRB3 (0.45) ADRB3ADRB1ADRB2
SCHEMBL7058116 0.82 ADRB3 (0.44) ADRB3ADRB1ADRB2
SCHEMBL7058117 0.82 ADRB3 (0.44) ADRB3ADRB1ADRB2
SCHEMBL7058816 0.80 ADRB3 (0.51) ADRB3ADRB1
Hydrochloric Acid SCHEMBL7051964 0.79 ADRB3 (0.50) ADRB3ADRB1
Hydrochloric Acid SCHEMBL7057574 0.78 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL7055697 0.78 ADRB3 (0.65) ADRB3ADRB1ADRB2

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