SCHEMBL7611045

SCHEMBL7611045

COC(=O)Nc1ccc(C(CNCC(O)COc2ccc(O)c(NS(=O)(=O)c3ccccc3)c2)c2ccc(NC(=O)OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.54
ADRB1 P08588 17/20 0.54
ADRB2 P07550 16/20 0.54
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL7608477 0.89 ADRB3 (0.59) ADRB3ADRB1ADRB2GAAGFER
SCHEMBL7611161 0.88 ADRB3 (0.56) ADRB3ADRB1ADRB2GAAGFER
SCHEMBL7605897 0.86 ADRB3 (0.56) ADRB3ADRB2GAAGFERAPOBEC3G
SCHEMBL7613217 0.84 ADRB2 (0.45) ADRB3ADRB1ADRB2
SCHEMBL7611056 0.82 ADRB3 (0.45) ADRB3ADRB1ADRB2GAAGFER
SCHEMBL7609817 0.82 ADRB3 (0.61) ADRB3ADRB1ADRB2
SCHEMBL7605875 0.81 ADRB1 (0.46) ADRB3ADRB1ADRB2
SCHEMBL7610428 0.80 ADRB3 (0.58) ADRB3ADRB1ADRB2
SCHEMBL7611605 0.78 ADRB3 (0.56) ADRB3ADRB2GAAGFERAPOBEC3G
SCHEMBL7608782 0.78 ADRB3 (0.75) ADRB3ADRB1ADRB2

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