SCHEMBL7042337

SCHEMBL7042337

COc1ccc([C@H](NC[C@H](O)c2ccc(OCc3ccccc3)c(NS(C)(=O)=O)c2)C(=O)NC(C)(C)C)cc1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.71

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
SCHEMBL7041510 0.83 ADRB3 (1.00) ADRB3
SCHEMBL6321884 0.83 ADRB3 (0.58) ADRB3
SCHEMBL6322651 0.83 ADRB3 (0.58) ADRB3
SCHEMBL6321752 0.81 ADRB3 (0.57) ADRB3
SCHEMBL8817454 0.79 ADRB3 (0.47) ADRB3
SCHEMBL7039875 0.78 ADRB3 (0.63) ADRB3
SCHEMBL7039871 0.78 ADRB3 (0.63) ADRB3
SCHEMBL7039832 0.78 ADRB3 (1.00) ADRB3
SCHEMBL7040772 0.78 ADRB3 (1.00) ADRB3
SCHEMBL7039330 0.78 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 2 patents. 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 disclosed
EP-0659737-A2 Catecholamine surrogates useful as B3 agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-28 EP disclosed