SCHEMBL6689617

SCHEMBL6689617

CCOC(=O)COc1c(C)cc(S(=O)(=O)c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 19/20 0.56
ADRB1 P08588 15/20 0.56

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
SCHEMBL6540438 0.87 ADRB3 (0.65) ADRB3ADRB1
SCHEMBL6540441 0.87 ADRB3 (0.65) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6540257 0.86 ADRB3 (0.65) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6540253 0.86 ADRB3 (0.65) ADRB3ADRB1
SCHEMBL6798555 0.84 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL6682351 0.84 ADRB3 (0.51) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6540574 0.82 ADRB3 (0.75) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6540570 0.82 ADRB3 (0.75) ADRB3ADRB1
SCHEMBL6553083 0.82 ADRB3 (0.56) ADRB3ADRB1
Hydrochloric Acid SCHEMBL6539908 0.81 ADRB3 (0.60) 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