SCHEMBL19984610

SCHEMBL19984610

C/C=C\c1c(C(O)CNCCc2ccc(COC(=O)c3ccc(COc4cccc(C(NC(=O)O)c5ccccc5)c4)cc3)c(F)c2)ccc(O)c1NC=O

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 16/20 0.43
▸ CHRM3 P20309 14/20 0.43

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
SCHEMBL19984506 0.89 ADRB2 (0.43) ADRB2CHRM3
SCHEMBL19984448 0.86 CHRM3 (0.44) ADRB2CHRM3
SCHEMBL19984720 0.85 CHRM3 (0.40) ADRB2CHRM3
SCHEMBL20373503 0.81 ADRB2 (0.61) ADRB2CHRM3
SCHEMBL20373767 0.80 CHRM3 (0.40) ADRB2CHRM3
SCHEMBL19903823 0.76 ADRB2 (0.44) ADRB2CHRM3
SCHEMBL19903829 0.76 ADRB2 (0.44) ADRB2CHRM3
SCHEMBL19903854 0.74 CHRM3 (0.40) ADRB2CHRM3
SCHEMBL19970962 0.72 CHRM3 (0.83) ADRB2CHRM3
SCHEMBL15777645 0.72 CHRM3 (0.83) 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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