SCHEMBL18946707

SCHEMBL18946707

CNc1c(O)ccc(C(O)CNCCCCCOC)c1/C=C\C=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.37
▸ ADRB3 P13945 10/20 0.37
▸ ADRB1 P08588 15/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ DRD2 P14416 1/20 0.34

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
SCHEMBL23223709 0.88 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL21573538 0.85 ADRB2 (0.43) ADRB2ADRB3ADRB1DRD2
SCHEMBL23223736 0.84 ADRB2 (0.39) ADRB2ADRB3ADRB1
SCHEMBL19903883 0.83 ADRB2 (0.36) ADRB2ADRB3ADRB1DRD2
SCHEMBL19903891 0.82 ADRB2 (0.40) ADRB2ADRB1DRD2
SCHEMBL19903887 0.81 ADRB2 (0.32) ADRB2ADRB3ADRB1DRD2
SCHEMBL20373657 0.81 ADRB2 (0.40) ADRB2ADRB1DRD2
SCHEMBL21573495 0.76 ADRB2 (0.42) ADRB2ADRB1DRD2
SCHEMBL19903846 0.75 ADRB2 (0.36) ADRB2ADRB3ADRB1ADRA1DDRD2
SCHEMBL18946751 0.74 ADRB2 (0.36) ADRB2ADRB3ADRB1ADRA1DDRD2

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
WO-2017093208-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-06-08 — — WO disclosed
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