SCHEMBL6682292

SCHEMBL6682292

COC(=O)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(CCNC(C(=O)OC(C)(C)C)[C@H](O)c4cccc(Cl)c4)cc3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 17/20 0.48
ADRB1 P08588 12/20 0.39
P2RX3 P56373 1/20 0.36
SLC2A1 P11166 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL6680863 0.94 ADRB3 (0.47) ADRB3ADRB1P2RX3
SCHEMBL6677317 0.93 ADRB3 (0.57) ADRB3ADRB1
SCHEMBL6243522 0.89 ADRB3 (0.53) ADRB3ADRB1SLC2A1
SCHEMBL6677819 0.84 ADRB3 (0.40) ADRB3ADRB1ADRB2
SCHEMBL6677352 0.83 ADRB3 (0.52) ADRB3ADRB1
SCHEMBL6679264 0.81 ADRB3 (0.36) ADRB3ADRB1ADRB2
SCHEMBL6239033 0.81 ADRB3 (0.44) ADRB3ADRB1P2RX3SLC2A1ADRB2
SCHEMBL6243606 0.80 ADRB3 (0.51) ADRB3ADRB1ADRB2
SCHEMBL6244119 0.80 ADRB3 (0.61) ADRB3ADRB1SLC2A1ADRB2
SCHEMBL6682294 0.80 ADRB3 (0.47) ADRB3ADRB1SLC2A1ADRB2

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