SCHEMBL6683338

SCHEMBL6683338

O=S(=O)(c1ccc(CCCNC[C@H](O)c2cccc(Cl)c2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.63
ADRB1 P08588 14/20 0.63

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
SCHEMBL6682480 0.89 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL6677740 0.89 ADRB3 (0.62) ADRB3ADRB1
SCHEMBL6806524 0.89 ADRB3 (0.65) ADRB3ADRB1
SCHEMBL6540578 0.88 ADRB3 (0.70) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6810279 0.88 ADRB3 (0.61) ADRB3ADRB1
SCHEMBL6540573 0.86 ADRB3 (0.58) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6676702 0.86 ADRB3 (0.52) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6676698 0.86 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL6676911 0.86 ADRB3 (0.49) ADRB3ADRB1
SCHEMBL6676914 0.86 ADRB3 (0.51) ADRB3ADRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO disclosed