SCHEMBL7055697

SCHEMBL7055697

O=C(O)COc1ccc(C2CCC(NCC(O)c3cccc(Cl)c3)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.65
ADRB1 P08588 6/20 0.65
CYP2D6 P10635 2/20 0.55
ADRB2 P07550 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL7055665 0.94 ADRB3 (0.63) ADRB3ADRB1CYP2D6ADRB2ADRA1D
SCHEMBL7055661 0.94 ADRB3 (0.63) ADRB3ADRB1CYP2D6ADRB2ADRA1D
SCHEMBL7060452 0.92 ADRB3 (0.64) ADRB3ADRB1CYP2D6ADRB2ADRA1D
Hydrochloric Acid SCHEMBL8416006 0.91 ADRB3 (0.63) ADRB3ADRB1CYP2D6ADRB2ADRA1D
SCHEMBL7058083 0.87 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL7058084 0.87 ADRB3 (0.50) ADRB3ADRB1
SCHEMBL2341258 0.86 ADRB3 (0.62) ADRB3ADRB1CYP2D6ADRB2ADRA1D
SCHEMBL7056507 0.86 ADRB3 (0.62) ADRB3ADRB1CYP2D6ADRB2ADRA1D
SCHEMBL2341262 0.86 ADRB3 (0.62) ADRB3ADRB1CYP2D6ADRB2ADRA1D
SCHEMBL4908238 0.86 ADRB3 (0.62) ADRB3ADRB1CYP2D6ADRB2ADRA1D

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