SCHEMBL6553047

SCHEMBL6553047

COC(=O)c1ccc(S(=O)(=O)c2ccc(CCNC[C@@H](O)c3cccnc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 17/20 0.64
ADRB1 P08588 17/20 0.64
ADRB3 P13945 17/20 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
SCHEMBL6553044 1.00 ADRB2 (0.64) ADRB2ADRB1ADRB3
SCHEMBL4458785 0.90 ADRB3 (0.70) ADRB2ADRB1ADRB3
SCHEMBL6540623 0.89 ADRB1 (0.62) ADRB2ADRB1ADRB3
SCHEMBL6540626 0.89 ADRB3 (0.64) ADRB2ADRB1ADRB3
SCHEMBL6554178 0.86 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL6554175 0.85 ADRB2 (0.61) ADRB2ADRB1ADRB3
SCHEMBL6539997 0.83 ADRB3 (0.60) ADRB2ADRB1ADRB3
SCHEMBL6540004 0.83 ADRB3 (0.60) ADRB2ADRB1ADRB3
SCHEMBL6540206 0.83 ADRB1 (0.68) ADRB2ADRB1ADRB3
SCHEMBL6540201 0.83 ADRB1 (0.68) ADRB2ADRB1ADRB3

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-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed