SCHEMBL11903513

SCHEMBL11903513

C[C@@H](CCCCOCC(F)(F)c1cccc(NC(N)=O)c1)NC[C@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.54
ADRB3 P13945 18/20 0.54
ADRB1 P08588 17/20 0.54

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
SCHEMBL11903526 1.00 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL11903502 1.00 ADRB2 (0.54) ADRB2ADRB3ADRB1
SCHEMBL524163 0.87 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL4240814 0.87 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL30480372 0.87 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL524162 0.87 ADRB2 (0.72) ADRB2ADRB3ADRB1
SCHEMBL12213641 0.81 ADRB2 (0.61) ADRB2ADRB3ADRB1
SCHEMBL5028852 0.73 ADRB2 (0.62) ADRB2ADRB3ADRB1
SCHEMBL2010699 0.73 ADRB2 (0.62) ADRB2ADRB3ADRB1
SCHEMBL523404 0.73 ADRB2 (0.62) ADRB2ADRB3ADRB1

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-8242177-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptor ALMIRALL, S.A. (ES) 2012-08-14 US disclosed