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SCHEMBL7606877

SCHEMBL7606877

CC(C)OC(=O)Oc1ccc(C(CN(Cc2ccccc2)CC(O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)c2ccc(OC(=O)OC(C)C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 14/20 0.44
▸ ADRB2 P07550 2/20 0.38
▸ TRPV1 Q8NER1 2/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ AR P10275 1/20 0.37

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
SCHEMBL7656679 0.88 ADRB3 (0.44) ADRB3ADRB2TRPV1
SCHEMBL7606900 0.85 ADRB3 (0.38) ADRB3TRPV1NR3C1PGRNR3C2
SCHEMBL6074837 0.85 ADRB3 (0.50) ADRB3ADRB2NR3C1
SCHEMBL7609387 0.84 ADRB3 (0.45) ADRB3ADRB2NR3C1PGRNR3C2
SCHEMBL7608253 0.84 ADRB3 (0.45) ADRB3ADRB2NR3C1PGRNR3C2
SCHEMBL7605273 0.83 ADRB3 (0.44) ADRB3ADRB2
SCHEMBL7610055 0.79 ADRB3 (0.40) ADRB3ADRB2NR3C1AR
SCHEMBL7611188 0.77 ALDH1A1 (0.46) —
SCHEMBL7605952 0.77 NR1H3 (0.48) —
SCHEMBL6321808 0.77 ADRB3 (0.47) ADRB3ADRB2NR3C1

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