SCHEMBL2823013

SCHEMBL2823013

CC(C)(Cc1cccc(OCCC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12.C[C@H](Cc1cccc(OCCC23CC4CC(CC(C4)C2)C3)c1)NC[C@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 15/20 0.47
ADRB1 P08588 11/20 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
SCHEMBL2747432 0.88 ADRB2 (0.59) ADRB2ADRB1
SCHEMBL2750169 0.87 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL10102847 0.87 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL2750248 0.87 ADRB2 (0.58) ADRB2ADRB1
SCHEMBL2747898 0.83 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL13823391 0.82 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL13823214 0.82 ADRB2 (0.56) ADRB2ADRB1
SCHEMBL2749047 0.80 ADRB2 (0.68) ADRB2ADRB1
SCHEMBL2747958 0.79 ADRB2 (0.47) ADRB2ADRB1
SCHEMBL2748252 0.78 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212276-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-08-04 EP disclosed
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO disclosed