SCHEMBL19984720

SCHEMBL19984720

C/C=C\c1c(C(O)CNCc2ccc(OC)c(COC(=O)c3ccc(COc4cccc(C(NC(=O)O)c5ccccc5)c4)cc3)c2)ccc(O)c1NC=O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 15/20 0.40
▸ ADRB2 P07550 10/20 0.40
▸ OPRK1 P41145 1/20 0.35
▸ BCHE P06276 1/20 0.33

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
SCHEMBL19984448 0.89 CHRM3 (0.44) CHRM3ADRB2
SCHEMBL19984506 0.88 ADRB2 (0.43) CHRM3ADRB2
SCHEMBL20373767 0.86 CHRM3 (0.40) CHRM3ADRB2BCHE
SCHEMBL19984610 0.85 ADRB2 (0.43) CHRM3ADRB2
SCHEMBL20373386 0.82 ADRB2 (0.57) CHRM3ADRB2
SCHEMBL19903854 0.78 CHRM3 (0.40) CHRM3ADRB2
SCHEMBL19903848 0.75 CHRM3 (0.42) CHRM3ADRB2
SCHEMBL19903823 0.74 ADRB2 (0.44) CHRM3ADRB2
SCHEMBL19903829 0.74 ADRB2 (0.44) CHRM3ADRB2
SCHEMBL15771687 0.72 CHRM3 (0.77) CHRM3ADRB2

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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