SCHEMBL28338810

SCHEMBL28338810

O=C(c1ccc(OCc2ccc(CNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1)N1CCC(C(=O)O[C@H]2CN3CCC2CC3)(c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 1.00
▸ CHRM3 P20309 19/20 1.00

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
SCHEMBL18260080 1.00 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL18260082 1.00 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL18260009 0.95 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL18260006 0.95 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL28338839 0.95 ADRB2 (0.91) ADRB2CHRM3
SCHEMBL28341093 0.95 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL18260098 0.95 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL18260099 0.95 ADRB2 (1.00) ADRB2CHRM3
SCHEMBL18259856 0.94 ADRB2 (0.89) ADRB2CHRM3
SCHEMBL28338811 0.94 ADRB2 (0.89) 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-107690432-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2019-12-24 — — CN claimed
CN-107690432-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2019-12-24 — — CN disclosed
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