SCHEMBL7040778

SCHEMBL7040778

CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccc3ccccc3c2)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.83

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
SCHEMBL7152199 1.00 ADRB3 (0.83) ADRB3
SCHEMBL7152201 1.00 ADRB3 (0.83) ADRB3
SCHEMBL7040776 1.00 ADRB3 (0.83) ADRB3
SCHEMBL7037490 0.91 ADRB3 (1.00) ADRB3
SCHEMBL7677824 0.89 ADRB3 (0.78) ADRB3
SCHEMBL7677822 0.89 ADRB3 (0.78) ADRB3
SCHEMBL7036881 0.88 ADRB3 (1.00) ADRB3
SCHEMBL7042094 0.88 ADRB3 (1.00) ADRB3
SCHEMBL7040662 0.87 ADRB3 (1.00) ADRB3
SCHEMBL7037334 0.87 ADRB3 (1.00) ADRB3

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
EP-0659737-B1 Catecholamine surrogates useful as beta 3 agonists BRISTOL MYERS SQUIBB CO (US) 2003-03-26 EP claimed