SCHEMBL21573583

SCHEMBL21573583

O=c1ccc2c(C(O)CNCCCCCCO)ccc(OCc3ccccc3)c2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.64
ADRB1 P08588 17/20 0.61
DRD2 P14416 2/20 0.53
DRD1 P21728 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53

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
SCHEMBL4895143 0.92 ADRB2 (0.66) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4890724 0.88 ADRB2 (0.61) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL4628320 0.86 ADRB2 (0.55) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL17513858 0.86 ADRB2 (0.55) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25906764 0.86 ADRB2 (0.55) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25265416 0.84 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL25196431 0.84 ADRB2 (0.53) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL2004900 0.84 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL244647 0.84 ADRB2 (0.77) ADRB2ADRB1DRD2DRD1DRD4
SCHEMBL18259967 0.84 ADRB2 (0.44) ADRB2ADRB1DRD2DRD1DRD4

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