SCHEMBL21573590

SCHEMBL21573590

O=CCCc1ccc(OCc2ccc(CNCC(O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.61
▸ ADRB1 P08588 19/20 0.60
▸ ADRB3 P13945 7/20 0.58
▸ CHRM2 P08172 1/20 0.56

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
SCHEMBL21573601 0.89 ADRB2 (0.65) ADRB2ADRB1ADRB3CHRM2
SCHEMBL20373813 0.81 ADRB2 (0.65) ADRB2ADRB1ADRB3
SCHEMBL19971014 0.79 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL19971015 0.79 ADRB2 (0.60) ADRB2ADRB1ADRB3
SCHEMBL19971019 0.79 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL17074667 0.79 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL13897351 0.79 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL17074665 0.79 ADRB2 (0.64) ADRB2ADRB1
SCHEMBL741704 0.78 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL27936172 0.78 ADRB2 (0.63) ADRB2ADRB1ADRB3CHRM2

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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