SCHEMBL6677808

SCHEMBL6677808

CCOC(=O)c1cc(S(=O)(=O)c2ccc(CCCNC[C@@H](O)c3cccc(Cl)c3)cc2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.53
ADRB1 P08588 14/20 0.53

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
SCHEMBL6677805 1.00 ADRB3 (0.53) ADRB3ADRB1
SCHEMBL6539613 0.95 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6539611 0.95 ADRB3 (0.58) ADRB3ADRB1
SCHEMBL6681979 0.90 ADRB3 (0.56) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6677575 0.90 ADRB3 (0.51) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6677572 0.90 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL6677234 0.90 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6801656 0.90 ADRB3 (0.55) ADRB3ADRB1
SCHEMBL6681984 0.90 ADRB3 (0.61) ADRB3ADRB1
SCHEMBL6810311 0.90 ADRB3 (0.55) 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