SCHEMBL28444069

SCHEMBL28444069

Cc1cccc(C(O)(C(=O)O)c2cccc(OCCCCCNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.67
▸ ADRB1 P08588 8/20 0.60
▸ CHRM3 P20309 10/20 0.54

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
SCHEMBL28435924 0.95 ADRB2 (0.70) ADRB2ADRB1CHRM3
SCHEMBL29631386 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL28443952 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL28443956 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL28435302 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL24404472 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL28435320 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL28439420 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL28443939 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3
SCHEMBL28439425 0.94 ADRB2 (0.75) ADRB2ADRB1CHRM3

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
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
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