SCHEMBL28442824

SCHEMBL28442824

O=C(NCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1ccc(COc2cccc([C@](O)(C(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.83
▸ CHRM3 P20309 17/20 0.74

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
SCHEMBL28435358 1.00 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL28435363 1.00 ADRB2 (0.83) ADRB2CHRM3
SCHEMBL17978862 0.93 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL17978859 0.93 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL17978852 0.91 ADRB2 (0.78) ADRB2CHRM3
SCHEMBL17979026 0.91 ADRB2 (0.78) ADRB2CHRM3
SCHEMBL17979000 0.91 ADRB2 (0.84) ADRB2CHRM3
SCHEMBL17978746 0.91 ADRB2 (0.84) ADRB2CHRM3
SCHEMBL17978686 0.91 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL17978684 0.91 ADRB2 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 — — CN claimed
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 — — CN disclosed
Send feedback