SCHEMBL4811140

SCHEMBL4811140

Cc1cc(OCCN[C@@H](C)[C@@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc(C)c1-c1ccc(CC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.45
▸ ADRB1 P08588 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
SCHEMBL4811130 1.00 ADRB3 (0.45) ADRB3ADRB1
SCHEMBL4818089 0.90 ADRB3 (0.53) ADRB3
SCHEMBL4818066 0.90 ADRB3 (0.53) ADRB3
SCHEMBL4816801 0.90 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL4816789 0.90 ADRB3 (0.47) ADRB3ADRB1
SCHEMBL5699440 0.88 KEAP1 (0.39) ADRB3ADRB1
SCHEMBL5699447 0.88 KEAP1 (0.39) ADRB3ADRB1
SCHEMBL4816809 0.86 ADRB3 (0.43) ADRB3ADRB1
SCHEMBL4816803 0.86 ADRB3 (0.43) ADRB3ADRB1
SCHEMBL4818620 0.82 ADRB3 (0.58) ADRB3

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
US-7417169-B2 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-26 — — US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 — — EP disclosed
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