SCHEMBL6152016

SCHEMBL6152016

CC1(C)OCc2cc(C(O)CNCCc3ccc(OCCOCc4cccc(C(N)=O)c4)cc3)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.41
ADRB3 P13945 13/20 0.40
ADRB1 P08588 5/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5279698 1.00 ADRB2 (0.41) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5280870 1.00 ADRB2 (0.41) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5288452 0.94 ADRB3 (0.45) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5288433 0.94 ADRB3 (0.45) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5394742 0.92 ADRB2 (0.47) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5394748 0.92 ADRB2 (0.47) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5282937 0.92 ADRB2 (0.40) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5282944 0.92 ADRB2 (0.40) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5373388 0.90 ADRB2 (0.39) ADRB2ADRB3ADRB1KDM4EGAA
SCHEMBL5373383 0.90 ADRB2 (0.39) ADRB2ADRB3ADRB1KDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497261-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-19 EP disclosed
WO-2003091204-A1 PHENETHANOLAMINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-11-06 WO disclosed