SCHEMBL19984714

SCHEMBL19984714

O=CNC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCc3csc(CNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.55
▸ CHRM3 P20309 18/20 0.55
▸ ADRB1 P08588 1/20 0.46

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
SCHEMBL20373307 0.87 ADRB2 (0.59) ADRB2CHRM3ADRB1
SCHEMBL20373390 0.87 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL15772092 0.85 ADRB2 (0.78) ADRB2CHRM3
SCHEMBL15772089 0.85 ADRB2 (0.78) ADRB2CHRM3
SCHEMBL15772088 0.85 ADRB2 (0.78) ADRB2CHRM3
SCHEMBL19984607 0.84 ADRB2 (0.56) ADRB2CHRM3ADRB1
SCHEMBL19984548 0.83 ADRB2 (0.61) ADRB2CHRM3ADRB1
SCHEMBL20373621 0.82 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL19903844 0.82 ADRB2 (0.54) ADRB2CHRM3ADRB1
SCHEMBL19984682 0.81 ADRB2 (0.58) 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-2928889-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-03-21 — — EP disclosed
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