SCHEMBL7051979

SCHEMBL7051979

COc1cccc(C2CCCC(NC[C@H](O)c3cccc(Cl)c3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.47
ADRB1 P08588 3/20 0.47
GRM5 P41594 1/20 0.45
BCHE P06276 1/20 0.45
AOC3 Q16853 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
Hydrochloric Acid SCHEMBL7053949 0.99 BCHE (0.46) ADRB3ADRB1GRM5BCHEAOC3
Hydrochloric Acid SCHEMBL7057574 0.93 ADRB3 (0.47) ADRB3ADRB1BCHEAOC3
SCHEMBL7052755 0.91 ADRB3 (0.49) ADRB3ADRB1GRM5
SCHEMBL8063492 0.91 ADRB3 (0.49) ADRB3ADRB1GRM5
SCHEMBL5978241 0.89 BCHE (0.51) ADRB3ADRB1BCHE
SCHEMBL7055926 0.88 ADRB3 (0.57) ADRB3ADRB1BCHE
SCHEMBL7053584 0.88 ADRB3 (0.49) ADRB3ADRB1BCHE
Hydrochloric Acid SCHEMBL7053894 0.87 ADRB3 (0.48) ADRB3ADRB1BCHE
SCHEMBL6278114 0.87 ADRB3 (0.47) ADRB3ADRB1BCHE
SCHEMBL5978240 0.87 ADRB3 (0.47) ADRB3ADRB1BCHE

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