SCHEMBL17074685

SCHEMBL17074685

O=C(O)c1ccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.71
ADRB1 P08588 13/20 0.71
ADRB3 P13945 4/20 0.63

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
SCHEMBL17074684 1.00 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL17074683 1.00 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL19770222 0.89 ADRB2 (0.61) ADRB2ADRB1
SCHEMBL17074687 0.87 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL17074689 0.87 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL11932022 0.85 ADRB2 (0.75) ADRB2ADRB1ADRB3
SCHEMBL17074669 0.85 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL17074668 0.85 ADRB2 (0.70) ADRB2ADRB1ADRB3
SCHEMBL17929041 0.85 ADRB2 (0.74) ADRB2ADRB1ADRB3
SCHEMBL18557659 0.85 ADRB2 (0.62) 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-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP claimed