SCHEMBL2826664

SCHEMBL2826664

O=C(NCCCc1ccccc1)Nc1cccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)c1.O=C(Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.69
ADRB1 P08588 6/20 0.69

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
SCHEMBL12878621 0.94 ADRB2 (0.77) ADRB2ADRB1
SCHEMBL1204688 0.94 ADRB2 (0.77) ADRB2ADRB1
SCHEMBL1204686 0.94 ADRB2 (0.77) ADRB2ADRB1
SCHEMBL13687515 0.94 ADRB2 (0.69) ADRB2ADRB1
SCHEMBL1204885 0.94 ADRB2 (0.69) ADRB2ADRB1
SCHEMBL1204889 0.94 ADRB2 (0.69) ADRB2ADRB1
SCHEMBL12891342 0.92 ADRB2 (0.73) ADRB2ADRB1
SCHEMBL1204404 0.92 ADRB2 (0.73) ADRB2ADRB1
SCHEMBL1204406 0.92 ADRB2 (0.73) ADRB2ADRB1
SCHEMBL1205520 0.90 ADRB2 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254860-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-12-01 EP disclosed
WO-2009106351-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-09-03 WO disclosed