SCHEMBL7605893

SCHEMBL7605893

COc1ccc(C(CN[C@@H](CO)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 20/20 0.58
▸ ADRB2 P07550 6/20 0.54
▸ ADRB1 P08588 5/20 0.54

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
SCHEMBL7610807 0.90 ADRB3 (0.58) ADRB3
SCHEMBL7605278 0.83 ADRB3 (0.55) ADRB3
SCHEMBL7605891 0.83 ADRB3 (0.66) ADRB3
SCHEMBL7612263 0.82 ADRB3 (0.59) ADRB3ADRB2ADRB1
SCHEMBL7607695 0.80 ADRB3 (0.52) ADRB3
SCHEMBL7611497 0.78 ADRB3 (0.62) ADRB3
SCHEMBL7674916 0.78 ADRB3 (0.87) ADRB3ADRB2ADRB1
SCHEMBL7674917 0.78 ADRB3 (0.87) ADRB3ADRB2ADRB1
SCHEMBL7613202 0.76 ADRB3 (0.55) ADRB3ADRB2ADRB1
Hydrochloric Acid SCHEMBL7605321 0.76 ADRB3 (0.51) 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
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 — — EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 — — WO disclosed
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