SCHEMBL19984506

SCHEMBL19984506

C/C=C\c1c(C(O)CNCCc2ccc(COC(=O)c3ccc(COc4cccc(C(NC(=O)O)c5ccccc5)c4)cc3)cc2OC)ccc(O)c1NC=O

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.43
▸ CHRM3 P20309 15/20 0.43
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL19984610 0.89 ADRB2 (0.43) ADRB2CHRM3
SCHEMBL19984720 0.88 CHRM3 (0.40) ADRB2CHRM3
SCHEMBL19984448 0.85 CHRM3 (0.44) ADRB2CHRM3
SCHEMBL20373848 0.82 ADRB2 (0.60) ADRB2CHRM3ADRB1ADRB3
SCHEMBL20373767 0.82 CHRM3 (0.40) ADRB2CHRM3
SCHEMBL19903823 0.75 ADRB2 (0.44) ADRB2CHRM3
SCHEMBL19903829 0.75 ADRB2 (0.44) ADRB2CHRM3
SCHEMBL19903854 0.74 CHRM3 (0.40) ADRB2CHRM3
SCHEMBL15772481 0.73 CHRM3 (0.80) ADRB2CHRM3
SCHEMBL15772477 0.73 CHRM3 (0.80) 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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