SCHEMBL7605372

SCHEMBL7605372

COc1ccc(C(CCNCC(O)c2ccc(O)c(NS(=O)(=O)c3ccccc3)c2)c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.62

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
Hydrochloric Acid SCHEMBL7608327 0.99 ADRB3 (0.61) ADRB3
SCHEMBL7613195 0.91 ADRB3 (0.61) ADRB3
SCHEMBL6321891 0.89 ADRB3 (0.77) ADRB3
SCHEMBL7611605 0.87 ADRB3 (0.56) ADRB3
SCHEMBL7609817 0.87 ADRB3 (0.61) ADRB3
SCHEMBL7607713 0.85 MEN1 (0.45) ADRB3
Hydrochloric Acid SCHEMBL7608347 0.84 MEN1 (0.44) ADRB3
SCHEMBL6323880 0.83 ADRB3 (0.74) ADRB3
SCHEMBL6323868 0.83 ADRB3 (0.74) ADRB3
SCHEMBL7605384 0.83 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 4 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 claimed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 WO claimed
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