SCHEMBL17060707

SCHEMBL17060707

CC1CCN(CCc2ccc(OCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.64
ADRB1 P08588 16/20 0.64
ADRB3 P13945 9/20 0.64
CHRM3 P20309 3/20 0.56
CHRM2 P08172 1/20 0.54

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
SCHEMBL17060705 0.93 ADRB2 (0.66) ADRB2ADRB1ADRB3CHRM3
SCHEMBL17060706 0.92 ADRB2 (0.59) ADRB2ADRB1ADRB3CHRM3
SCHEMBL14674013 0.92 ADRB2 (0.59) ADRB2ADRB1ADRB3CHRM3
SCHEMBL17060698 0.87 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL14166422 0.87 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL14166602 0.87 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL14166297 0.87 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL17060701 0.87 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL14166186 0.87 ADRB2 (0.65) ADRB2ADRB1CHRM3
SCHEMBL14674012 0.85 ADRB2 (0.60) ADRB2ADRB1ADRB3CHRM3

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-2718281-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-09 EP claimed