SCHEMBL21573495

SCHEMBL21573495

CNc1c(O)ccc(C(O)CNCCCN(C)Cc2ccc(C)cc2)c1/C=C\C=O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 17/20 0.42
▸ ADRB1 P08588 16/20 0.42
▸ DRD2 P14416 1/20 0.36
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL20373657 0.87 ADRB2 (0.40) ADRB2ADRB1DRD2
SCHEMBL23223709 0.81 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL21573538 0.76 ADRB2 (0.43) ADRB2ADRB1DRD2
SCHEMBL19903846 0.74 ADRB2 (0.36) ADRB2ADRB1DRD2
SCHEMBL22839900 0.74 BACE1 (0.35) HDAC1
SCHEMBL21573593 0.73 ADRB2 (0.76) ADRB2ADRB1
SCHEMBL20373416 0.70 ADRB2 (0.40) ADRB2ADRB1DRD2
SCHEMBL23223736 0.70 ADRB2 (0.39) ADRB2ADRB1
SCHEMBL24404490 0.65 ADRB2 (0.38) ADRB2HDAC1
SCHEMBL24404566 0.64 ADRB2 (0.40) ADRB2HDAC1

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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