SCHEMBL21568647

SCHEMBL21568647

O=C(c1ccc(CCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 14/20 0.61
▸ CHRM3 P20309 5/20 0.61
▸ ADRB1 P08588 6/20 0.58
▸ ADRB3 P13945 1/20 0.54
▸ DRD2 P14416 2/20 0.52
▸ DRD1 P21728 2/20 0.52
▸ DRD4 P21917 2/20 0.52
▸ DRD3 P35462 2/20 0.52

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
SCHEMBL21568646 1.00 ADRB2 (0.61) ADRB2CHRM3ADRB1ADRB3DRD2
SCHEMBL21568540 0.94 ADRB2 (0.69) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568541 0.94 ADRB2 (0.69) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568665 0.89 ADRB2 (0.76) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568664 0.89 ADRB2 (0.76) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568607 0.88 ADRB2 (0.70) ADRB2CHRM3ADRB1
SCHEMBL21568534 0.88 ADRB2 (0.66) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568610 0.88 ADRB2 (0.70) ADRB2CHRM3ADRB1
SCHEMBL21568535 0.88 ADRB2 (0.66) ADRB2CHRM3ADRB1ADRB3
SCHEMBL21568561 0.87 ADRB2 (0.64) ADRB2CHRM3ADRB1ADRB3

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 claimed
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