SCHEMBL5206957

SCHEMBL5206957

CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCC(NC[C@H](O)COc4ccc(O)c(NS(C)(=O)=O)c4)CC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.51
ADRB1 P08588 11/20 0.45
ADRB2 P07550 9/20 0.45
KDM4E B2RXH2 1/20 0.41
GAA P10253 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
SCHEMBL5204833 0.88 ADRB1 (0.54) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5203201 0.88 ADRB3 (0.42) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5207745 0.84 ADRB1 (0.46) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL7246049 0.82 ADRB3 (0.54) ADRB3ADRB1ADRB2
SCHEMBL5206634 0.81 CYP3A4 (0.44) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL5203113 0.80 ADRB1 (0.40) ADRB3ADRB1ADRB2KDM4EGAA
SCHEMBL6074507 0.80 ADRB3 (0.64) ADRB3ADRB1ADRB2
SCHEMBL5204459 0.80 ADRB3 (0.47) ADRB3ADRB1ADRB2
SCHEMBL6074795 0.79 ADRB3 (0.56) ADRB3ADRB1ADRB2
SCHEMBL6074614 0.76 ADRB3 (0.60) ADRB3ADRB1ADRB2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242083-B1 PHENOXYPROPANOLAMINES, METHOD FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI AVENTIS (FR) 2007-03-14 EP claimed