SCHEMBL2568086

SCHEMBL2568086

NC(=O)Nc1cccc(CNCCCOCCCCCCNC[C@H](O)c2ccc(OCc3ccccc3)c3[nH]c(=O)ccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.52
ADRB1 P08588 8/20 0.52
ADRB3 P13945 2/20 0.47

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
SCHEMBL2568091 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL2568093 0.89 ADRB2 (0.48) ADRB2ADRB1ADRB3
SCHEMBL4890724 0.84 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL1205548 0.81 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL1205549 0.81 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL1205668 0.80 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL1205667 0.80 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL1205586 0.80 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL1205589 0.80 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL2563919 0.80 ADRB2 (0.46) ADRB2ADRB1

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-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed