SCHEMBL4028294

SCHEMBL4028294

O=C1COc2c(CCN(CCN(C(=O)CCNCCc3ccc(C(=O)O)cc3)C3CCCCC3)c3ccccc3)ccc(O)c2N1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 10/20 0.76
ADRB2 P07550 7/20 0.45
DRD2 P14416 1/20 0.45
DRD1 P21728 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
ADRB1 P08588 9/20 0.41

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
SCHEMBL3593795 0.90 SMYD2 (0.87) SMYD2ADRB2DRD2DRD1DRD4
SCHEMBL3594007 0.86 SMYD2 (1.00) SMYD2ADRB2DRD2DRD1DRD4
SCHEMBL3590884 0.86 SMYD2 (1.00) SMYD2ADRB2DRD2DRD1DRD4
Trifluoroacetic Acid SCHEMBL3592082 0.86 SMYD2 (0.80) SMYD2ADRB2DRD2DRD1DRD4
SCHEMBL17476251 0.86 SMYD2 (1.00) SMYD2ADRB2DRD2DRD1DRD4
SCHEMBL17476249 0.85 SMYD2 (1.00) SMYD2ADRB2DRD2DRD1DRD4
Trifluoroacetic Acid SCHEMBL3605825 0.83 SMYD2 (0.91) SMYD2ADRB2DRD2DRD1DRD4
Trifluoroacetic Acid SCHEMBL3599481 0.83 SMYD2 (0.91) SMYD2ADRB2DRD2DRD1DRD4
SCHEMBL3606169 0.82 SMYD2 (0.85) SMYD2ADRB2DRD2DRD1DRD4
SCHEMBL3598223 0.82 SMYD2 (0.85) SMYD2ADRB2DRD2DRD1DRD4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094646-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008075025-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-06-26 WO disclosed