SCHEMBL7044494

SCHEMBL7044494

CS(=O)(=O)Nc1cccc([C@@H](O)CN[C@@H](Cc2ccccc2)c2ccc(OC(F)F)cc2)c1O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.73
ADRB2 P07550 1/20 0.55
ADRB1 P08588 1/20 0.55

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
SCHEMBL8607671 0.89 ADRB3 (0.67) ADRB3
SCHEMBL7040975 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7039432 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7042488 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7040981 0.85 ADRB3 (1.00) ADRB3
SCHEMBL7677215 0.80 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL7677212 0.80 ADRB3 (0.86) ADRB3ADRB2ADRB1
SCHEMBL13550990 0.78 ADRB3 (1.00) ADRB3
SCHEMBL7042347 0.77 ADRB3 (0.85) ADRB3
SCHEMBL7042434 0.77 ADRB3 (0.85) 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