SCHEMBL21573521

SCHEMBL21573521

C/C=C\c1c(C(O)CNCCCN(C=O)Cc2ccccc2OCc2ccccc2)ccc(O)c1NC=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ ADRB2 P07550 11/20 0.36
▸ ADRB1 P08588 9/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ ADRA1D P25100 2/20 0.35
▸ SLC1A5 Q15758 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
SCHEMBL20373416 0.74 ADRB2 (0.40) ADRB2ADRB1DRD2
SCHEMBL21573556 0.68 ADRB2 (0.41) ADRB2ADRB1DRD2ADRA1D
SCHEMBL21573519 0.65 ADRB2 (0.61) ADRB2ADRB1DRD2
SCHEMBL18946397 0.64 ADRB1 (0.43) KDM4EADRB2ADRB1DRD2ADRA1D
SCHEMBL21573584 0.64 ADRB2 (0.51) ADRB2
SCHEMBL21573516 0.63 ADRB2 (0.73) ADRB2ADRB1
SCHEMBL19903891 0.61 ADRB2 (0.40) KDM4ETDP1ADRB2ADRB1DRD2
SCHEMBL23223708 0.61 ADRB2 (0.42) ADRB2ADRB1DRD2ADRA1D
SCHEMBL20833606 0.60 KDM4E (0.49) KDM4ETDP1ADRB2ADRB1ADRA1D
SCHEMBL20833607 0.60 KDM4E (0.49) KDM4ETDP1ADRB2ADRB1ADRA1D

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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