SCHEMBL28338844

SCHEMBL28338844

O=C(NCc1ccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)c1ccc(C(=O)N2CC(C(=O)O[C@H]3CN4CCC3CC4)(c3ccccc3)C2)cc1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.79
▸ CHRM3 P20309 18/20 0.79
▸ ADRB1 P08588 1/20 0.53
▸ ADRB3 P13945 1/20 0.53

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
SCHEMBL18259933 1.00 ADRB2 (0.79) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18259931 1.00 ADRB2 (0.79) ADRB2CHRM3ADRB1ADRB3
SCHEMBL18259917 0.95 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL18259810 0.95 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL18259919 0.95 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL28338836 0.95 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL18259812 0.95 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL28338793 0.95 ADRB2 (0.87) ADRB2CHRM3
SCHEMBL18260002 0.92 ADRB2 (0.90) ADRB2CHRM3
SCHEMBL18260000 0.92 ADRB2 (0.90) 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
Send feedback