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Sugi Predict / Compounds / SCHEMBL19903850

SCHEMBL19903850

SCHEMBL19903850

CNc1c(O)ccc(C(O)CNCc2ccc(C(=O)N(CCOC(=O)c3ccc(COc4cccc(C(NC)c5ccccc5)c4)cc3)C(C)C)cc2)c1/C=C\C=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 17/20 0.39
▸ ADRB2 P07550 14/20 0.39
▸ BCHE P06276 1/20 0.33
▸ CACNA1C Q13936 1/20 0.31

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
SCHEMBL19903848 0.86 CHRM3 (0.42) CHRM3ADRB2CACNA1C
SCHEMBL19903854 0.79 CHRM3 (0.40) CHRM3ADRB2CACNA1C
SCHEMBL19903847 0.76 ADRB2 (0.57) CHRM3ADRB2CACNA1C
SCHEMBL19984448 0.75 CHRM3 (0.44) CHRM3ADRB2CACNA1C
SCHEMBL16561284 0.72 CHRM3 (0.78) CHRM3ADRB2CACNA1C
SCHEMBL19894732 0.72 CHRM3 (0.78) CHRM3ADRB2CACNA1C
SCHEMBL19894731 0.72 CHRM3 (0.78) CHRM3ADRB2CACNA1C
SCHEMBL15776276 0.72 CHRM3 (0.78) CHRM3ADRB2CACNA1C
SCHEMBL20373767 0.72 CHRM3 (0.40) CHRM3ADRB2BCHE
SCHEMBL19984547 0.71 ADRB2 (0.62) 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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