SCHEMBL7056567

SCHEMBL7056567

O=C(O)COc1ccccc1C1CCCC(NC[C@H](O)c2cccc(Cl)c2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 14/20 0.55
ADRB1 P08588 7/20 0.55
PTGDR2 Q9Y5Y4 4/20 0.49
PTGDR Q13258 3/20 0.47
PTGER2 P43116 1/20 0.46
ADRB2 P07550 3/20 0.46
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7056564 1.00 ADRB3 (0.55) ADRB3ADRB1PTGDR2PTGDRPTGER2
SCHEMBL7052433 0.90 ADRB3 (0.61) ADRB3ADRB1PTGDR2PTGDR
SCHEMBL8078249 0.90 ADRB3 (0.61) ADRB3ADRB1PTGDR2PTGDR
Hydrochloric Acid SCHEMBL7052974 0.89 ADRB3 (0.60) ADRB3ADRB1PTGDR2PTGDR
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
SCHEMBL7055665 0.85 ADRB3 (0.63) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL7055661 0.85 ADRB3 (0.63) ADRB3ADRB1ADRB2ADRA1DADRA1A
SCHEMBL4908238 0.84 ADRB3 (0.62) ADRB3ADRB1ADRB2ADRA1DADRA1A

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