SCHEMBL2828213

SCHEMBL2828213

C[C@H](Cc1cccc(COCC(F)(F)c2ccccc2)c1)NC[C@H](O)c1ccc(O)c(CO)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.61
ADRB1 P08588 5/20 0.49
ADRB3 P13945 4/20 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
SCHEMBL13232145 1.00 ADRB2 (0.61) ADRB2ADRB1ADRB3
SCHEMBL13170744 1.00 ADRB2 (0.61) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL2792826 0.97 ADRB2 (0.62) ADRB2ADRB1ADRB3
Acetic Acid SCHEMBL2792833 0.97 ADRB2 (0.62) ADRB2ADRB1ADRB3
SCHEMBL13170741 0.88 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL2795174 0.88 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL2795170 0.88 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL2792831 0.87 ADRB2 (0.50) ADRB2ADRB1ADRB3
SCHEMBL4333998 0.87 ADRB2 (0.50) ADRB2ADRB1ADRB3
SCHEMBL2828122 0.84 ADRB2 (0.54) ADRB2ADRB1ADRB3

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-2057122-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE 2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2010-09-01 EP claimed