SCHEMBL21573555

SCHEMBL21573555

CCc1ccc(OCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.69
▸ ADRB1 P08588 18/20 0.69
▸ ADRB3 P13945 6/20 0.68
▸ CHRM2 P08172 1/20 0.60

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
SCHEMBL21573587 0.99 ADRB2 (0.70) ADRB2ADRB1ADRB3CHRM2
SCHEMBL21573520 0.91 ADRB2 (0.71) ADRB2ADRB1ADRB3
SCHEMBL21573601 0.85 ADRB2 (0.65) ADRB2ADRB1ADRB3CHRM2
SCHEMBL14674013 0.84 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL17060706 0.84 ADRB2 (0.59) ADRB2ADRB1ADRB3
SCHEMBL19984602 0.84 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL17074625 0.84 ADRB2 (0.67) ADRB2ADRB1ADRB3
SCHEMBL21573515 0.84 ADRB2 (0.70) ADRB2ADRB1
SCHEMBL17060707 0.83 ADRB2 (0.64) ADRB2ADRB1ADRB3CHRM2
SCHEMBL27936174 0.83 ADRB2 (0.81) ADRB2ADRB1

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
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 — — EP disclosed
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