SCHEMBL7055707

SCHEMBL7055707

O[C@@H](CNC1CCC(c2ccccc2)CC1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.49
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
TYK2 P29597 3/20 0.48
JAK3 P52333 2/20 0.48
SLC18A3 Q16572 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
ADRB2 P07550 1/20 0.47
AOC3 Q16853 3/20 0.46

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 SCHEMBL14126826 0.89 KDM4E (0.71) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL7056967 0.87 ADRB3 (0.50) KDM4EADRB2
SCHEMBL31270102 0.84 KDM4E (0.66) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL31270012 0.83 KDM4E (0.64) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL31269950 0.83 KDM4E (0.64) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL31270098 0.83 KDM4E (0.64) KDM4EL3MBTL1JAK2JAK1TYK2
SCHEMBL7051948 0.82 KDM4E (0.60) KDM4EL3MBTL1SLC18A3SIGMAR1AOC3
SCHEMBL10877567 0.82 KDM4E (0.88) KDM4EL3MBTL1
SCHEMBL10877574 0.82 KDM4E (0.88) KDM4EL3MBTL1
SCHEMBL31269959 0.78 KDM4E (0.71) KDM4EL3MBTL1AOC3

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