SCHEMBL21573556

SCHEMBL21573556

C/C=C\c1c([C@@H](O)CNCCc2ccc(CNC)cc2)ccc(O)c1NC=O

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 20/20 0.41
▸ ADRB1 P08588 15/20 0.41
▸ ADRA1D P25100 8/20 0.41
▸ DRD2 P14416 7/20 0.41
▸ DRD3 P35462 2/20 0.41
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL20373416 0.77 ADRB2 (0.40) ADRB2ADRB1DRD2DRD3
SCHEMBL21573521 0.68 KDM4E (0.37) ADRB2ADRB1ADRA1DDRD2
SCHEMBL18946397 0.68 ADRB1 (0.43) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL23223709 0.67 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL14036266 0.67 KDM4E (0.47) ADRB2ADRB1DRD2
SCHEMBL19903846 0.67 ADRB2 (0.36) ADRB2ADRB1ADRA1DDRD2DRD3
SCHEMBL21517469 0.63 MEN1 (0.41) ADRB2ADRB1DRD2DRD3ADRB3
Hydrochloric Acid SCHEMBL11692252 0.63 ADRB2 (0.48) ADRB2ADRB1DRD3ADRB3
SCHEMBL30254965 0.61 ADRB2 (0.77) ADRB2ADRB1DRD2DRD3ADRB3
SCHEMBL14260754 0.61 ADRB2 (0.77) ADRB2ADRB1DRD2DRD3ADRB3

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
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