SCHEMBL17074626

SCHEMBL17074626

O=C(O)NC(c1ccccc1)c1cccc(OCc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.64
▸ CHRM3 P20309 17/20 0.64
▸ ADRB1 P08588 1/20 0.56

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
SCHEMBL17074627 1.00 ADRB2 (0.64) ADRB2CHRM3ADRB1
SCHEMBL15776982 1.00 ADRB2 (0.64) ADRB2CHRM3ADRB1
SCHEMBL15776977 1.00 ADRB2 (0.64) ADRB2CHRM3ADRB1
SCHEMBL15776984 1.00 ADRB2 (0.64) ADRB2CHRM3ADRB1
SCHEMBL20357892 0.95 ADRB2 (0.60) ADRB2CHRM3ADRB1
SCHEMBL15777622 0.95 ADRB2 (0.60) ADRB2CHRM3ADRB1
SCHEMBL15777619 0.95 ADRB2 (0.60) ADRB2CHRM3ADRB1
SCHEMBL15777624 0.95 ADRB2 (0.60) ADRB2CHRM3ADRB1
SCHEMBL15778220 0.94 ADRB2 (0.66) ADRB2CHRM3
SCHEMBL20357784 0.94 ADRB2 (0.66) ADRB2CHRM3

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 disclosed
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