SCHEMBL19903891

SCHEMBL19903891

CNc1c(O)ccc(C(O)CNCCCN(CCCOC)C(=O)Cc2ccccc2)c1/C=C\C=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 15/20 0.40
▸ REN P00797 1/20 0.39
▸ ADRB1 P08588 11/20 0.37
▸ DRD2 P14416 4/20 0.37
▸ MLNR O43193 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ DRD1 P21728 2/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL19903887 0.82 ADRB2 (0.32) ADRB2ADRB1DRD2
SCHEMBL18946707 0.82 ADRB2 (0.37) ADRB2ADRB1DRD2
SCHEMBL20373657 0.76 ADRB2 (0.40) ADRB2ADRB1DRD2DRD3
SCHEMBL21573495 0.75 ADRB2 (0.42) ADRB2ADRB1DRD2
SCHEMBL21573538 0.72 ADRB2 (0.43) ADRB2ADRB1DRD2ALDH1A1SMN1; SMN2
SCHEMBL21573489 0.70 ADRB2 (0.40) ADRB2ADRB1
SCHEMBL19903846 0.68 ADRB2 (0.36) ADRB2ADRB1DRD2DRD3
SCHEMBL18946751 0.66 ADRB2 (0.36) ADRB2ADRB1DRD2DRD3
SCHEMBL20373553 0.64 SMN1; SMN2 (0.44) ADRB2SMN1; SMN2TDP1
SCHEMBL22839900 0.64 BACE1 (0.35) —

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-2928890-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2018-02-28 — — EP disclosed
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