SCHEMBL6554338

SCHEMBL6554338

CC(=O)OOc1ccc(S(=O)(=O)c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.53
ADRB1 P08588 11/20 0.53

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
SCHEMBL6554341 0.93 ADRB3 (0.54) ADRB3ADRB1
SCHEMBL6552703 0.90 ADRB3 (0.61) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6540925 0.89 ADRB3 (0.54) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6554044 0.89 ADRB3 (0.60) ADRB3ADRB1
SCHEMBL6540256 0.88 ADRB3 (0.70) ADRB3ADRB1
SCHEMBL6540249 0.88 ADRB3 (0.70) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541599 0.87 ADRB3 (0.71) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6541604 0.87 ADRB3 (0.71) ADRB3ADRB1
SCHEMBL6678924 0.86 ADRB3 (0.68) ADRB3ADRB1
SCHEMBL6552480 0.85 ADRB3 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed