SCHEMBL18946751

SCHEMBL18946751

CNc1c(O)ccc(C(O)CNCCCCCOc2cccc(CNC3(C)CCc4ccccc43)c2)c1/C=C\C=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 19/20 0.36
▸ ADRB1 P08588 10/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ CHRM3 P20309 8/20 0.35
▸ ADRB3 P13945 5/20 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
SCHEMBL18946467 0.88 ADRB2 (0.40) ADRB2ADRB1DRD3CHRM3
SCHEMBL23223736 0.79 ADRB2 (0.39) ADRB2ADRB1DRD3CHRM3ADRB3
SCHEMBL21573538 0.74 ADRB2 (0.43) ADRB2ADRB1DRD3DRD2ADRB3
SCHEMBL18946707 0.74 ADRB2 (0.37) ADRB2ADRB1DRD2ADRA1DADRB3
SCHEMBL23223709 0.71 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL23198048 0.71 ADRB2 (0.57) ADRB2ADRB1CHRM3
SCHEMBL23198046 0.71 ADRB2 (0.57) ADRB2ADRB1CHRM3
SCHEMBL23223721 0.68 ADRB2 (0.58) ADRB2ADRB1CHRM3ADRB3
SCHEMBL23223710 0.68 CHRM3 (0.73) ADRB2CHRM3
SCHEMBL23198031 0.68 ADRB2 (0.56) ADRB2ADRB1CHRM3

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
Send feedback