SCHEMBL7611497

SCHEMBL7611497

CS(=O)(=O)Nc1cc([C@H](CO)NCC(c2ccc(OCC(=O)O)cc2)c2ccc(OCC(=O)O)cc2)ccc1O

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 SCHEMBL7605321 0.89 ADRB3 (0.51) ADRB3
SCHEMBL7605278 0.85 ADRB3 (0.55) ADRB3
Hydrochloric Acid SCHEMBL7610858 0.85 ADRB3 (0.49) ADRB3
SCHEMBL7611487 0.83 ADRB3 (0.80) ADRB3
SCHEMBL7607695 0.82 ADRB3 (0.52) ADRB3
SCHEMBL7610807 0.81 ADRB3 (0.58) ADRB3
SCHEMBL7612263 0.80 ADRB3 (0.59) ADRB3
SCHEMBL7605893 0.78 ADRB3 (0.58) ADRB3
SCHEMBL7613202 0.76 ADRB3 (0.55) ADRB3
SCHEMBL7612200 0.76 ADRB3 (0.42) 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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