SCHEMBL21568557

SCHEMBL21568557

CCN(CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12)C(=O)c1ccc(CCC(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 18/20 0.53
▸ ADRB1 P08588 13/20 0.53
▸ CHRM3 P20309 4/20 0.50
▸ DRD2 P14416 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46

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
SCHEMBL21568555 1.00 ADRB2 (0.53) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL21568679 0.94 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL21568678 0.94 ADRB2 (0.56) ADRB2ADRB1CHRM3
SCHEMBL18897377 0.94 ADRB2 (0.54) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL21568531 0.94 ADRB2 (0.54) ADRB2ADRB1CHRM3DRD2DRD1
SCHEMBL21568542 0.93 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568543 0.93 ADRB2 (0.52) ADRB2ADRB1CHRM3
SCHEMBL21568619 0.91 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL18897362 0.91 ADRB2 (0.59) ADRB2ADRB1CHRM3
SCHEMBL21573598 0.89 ADRB2 (0.55) ADRB2ADRB1CHRM3DRD2DRD1

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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