SCHEMBL19903858

SCHEMBL19903858

CNC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCC3CCN(c4ccc(CNCC(O)c5ccc(O)c6[nH]c(=O)ccc56)cc4)CC3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.60
▸ CHRM3 P20309 20/20 0.60

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
SCHEMBL19903860 0.92 ADRB2 (0.58) ADRB2CHRM3
SCHEMBL19894700 0.89 CHRM3 (0.78) ADRB2CHRM3
SCHEMBL19894702 0.89 CHRM3 (0.78) ADRB2CHRM3
SCHEMBL15768439 0.89 CHRM3 (0.78) ADRB2CHRM3
SCHEMBL15768441 0.89 CHRM3 (0.78) ADRB2CHRM3
SCHEMBL15768438 0.89 CHRM3 (0.78) ADRB2CHRM3
SCHEMBL19984547 0.85 ADRB2 (0.62) ADRB2CHRM3
SCHEMBL19903898 0.85 ADRB2 (0.59) ADRB2CHRM3
SCHEMBL19903847 0.83 ADRB2 (0.57) ADRB2CHRM3
SCHEMBL19894750 0.82 CHRM3 (0.77) 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-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 — — EP disclosed
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