SCHEMBL7053584

SCHEMBL7053584

COc1ccc(C2CCCC(NC[C@H](O)c3cccc(Cl)c3)C2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.49
ADRB1 P08588 4/20 0.43
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
BCHE P06276 1/20 0.41

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
Hydrochloric Acid SCHEMBL7053894 0.99 ADRB3 (0.48) ADRB3ADRB1ROCK2ROCK1BCHE
SCHEMBL8063492 0.89 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL7052755 0.89 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL7051979 0.88 ADRB3 (0.47) ADRB3ADRB1BCHE
Hydrochloric Acid SCHEMBL7053949 0.87 BCHE (0.46) ADRB3ADRB1BCHE
SCHEMBL7052359 0.86 ADRB3 (0.47) ADRB3ADRB1ROCK2ROCK1
Hydrochloric Acid SCHEMBL7057281 0.85 ADRB3 (0.46) ADRB3ADRB1BCHE
Hydrochloric Acid SCHEMBL8071558 0.85 ADRB3 (0.46) ADRB3ADRB1BCHE
SCHEMBL7056462 0.85 ADRB3 (0.44) ADRB3ADRB1
SCHEMBL8076934 0.85 ADRB3 (0.44) ADRB3ADRB1

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