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Sugi Predict / Compounds / SCHEMBL19970987

SCHEMBL19970987

SCHEMBL19970987

O=C(NC(c1ccccc1)c1cccc(OCc2ccc(C(=O)OCCc3ccc(CNC[C@H](O)c4ccc(O)c5[nH]c(=O)ccc45)cc3)cc2)c1)O[C@H]1CN2CCC1CC2

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 20/20 0.85
▸ ADRB2 P07550 19/20 0.85
▸ CACNA1C Q13936 1/20 0.68

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
SCHEMBL16579630 1.00 CHRM3 (0.85) CHRM3ADRB2CACNA1C
SCHEMBL15783798 1.00 CHRM3 (0.85) CHRM3ADRB2CACNA1C
SCHEMBL16579631 1.00 CHRM3 (0.85) CHRM3ADRB2CACNA1C
SCHEMBL19970989 1.00 CHRM3 (0.85) CHRM3ADRB2CACNA1C
SCHEMBL16579657 0.97 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL15786721 0.97 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL19970975 0.97 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL19970974 0.97 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL16579656 0.97 CHRM3 (0.87) CHRM3ADRB2CACNA1C
SCHEMBL16579501 0.96 CHRM3 (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345904-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.a. (IT) 2018-07-11 — — EP disclosed
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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