SCHEMBL7699709

SCHEMBL7699709

COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OCc1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.89
ADRB2 P07550 12/20 0.89
ADRB1 P08588 9/20 0.89

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
SCHEMBL7678634 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7674986 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7674992 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7670221 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7675887 0.94 ADRB3 (1.00) ADRB3ADRB2ADRB1
SCHEMBL7677225 0.92 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL7677219 0.92 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL7671775 0.92 ADRB3 (0.91) ADRB3ADRB2ADRB1
SCHEMBL7671776 0.92 ADRB3 (0.91) ADRB3ADRB2ADRB1
SCHEMBL7674878 0.91 ADRB3 (1.00) ADRB3ADRB2ADRB1

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
US-6436914-B1 TREATING DIABETES, OBESITY, DEPRESSION, ACHALASIA OR INTESTINAL HYPERMOTILITY DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2002-08-20 US disclosed