SCHEMBL19903836

SCHEMBL19903836

O=CNC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCN(C(=O)Nc3ccc(CNCC(O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)C3CCCCC3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 19/20 0.56
▸ ADRB2 P07550 19/20 0.56
▸ CACNA1C Q13936 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
SCHEMBL15768183 0.88 CHRM3 (0.75) CHRM3ADRB2CACNA1C
SCHEMBL19894717 0.88 CHRM3 (0.75) CHRM3ADRB2CACNA1C
SCHEMBL15768189 0.88 CHRM3 (0.75) CHRM3ADRB2CACNA1C
SCHEMBL15768191 0.88 CHRM3 (0.75) CHRM3ADRB2CACNA1C
SCHEMBL19894714 0.88 CHRM3 (0.75) CHRM3ADRB2CACNA1C
SCHEMBL19903844 0.84 ADRB2 (0.54) CHRM3ADRB2CACNA1C
SCHEMBL15768462 0.82 CHRM3 (0.77) CHRM3ADRB2CACNA1C
SCHEMBL15768465 0.82 CHRM3 (0.77) CHRM3ADRB2CACNA1C
SCHEMBL19894678 0.82 CHRM3 (0.77) CHRM3ADRB2CACNA1C
SCHEMBL19894679 0.82 CHRM3 (0.77) CHRM3ADRB2CACNA1C

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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