SCHEMBL19957753

SCHEMBL19957753

O=C(COc1cccc(C(=O)NCCc2c[nH]cn2)c1)NCCCN1CCc2ccccc2C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 16/20 0.60
WDR77 Q9BQA1 14/20 0.60
DRD3 P35462 3/20 0.47
DRD4 P21917 1/20 0.47
DRD2 P14416 2/20 0.47
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL15935476 0.88 PRMT5 (0.78) PRMT5WDR77
SCHEMBL19957653 0.87 PRMT5 (0.79) PRMT5WDR77DRD3DRD4DRD2
SCHEMBL19957673 0.85 PRMT5 (0.78) PRMT5WDR77DRD3DRD4
SCHEMBL19957874 0.84 PRMT5 (0.79) PRMT5WDR77DRD3DRD4DRD2
SCHEMBL19957778 0.83 PRMT5 (0.79) PRMT5WDR77DRD3DRD4
SCHEMBL19957672 0.83 PRMT5 (0.75) PRMT5WDR77DRD3DRD4DRD2
SCHEMBL19957690 0.82 PRMT5 (0.77) PRMT5WDR77ALDH1A1SMN1; SMN2
SCHEMBL19957545 0.82 PRMT5 (0.57) PRMT5WDR77
SCHEMBL19957682 0.82 PRMT5 (0.64) PRMT5WDR77DRD3DRD4DRD2
SCHEMBL19957667 0.78 PRMT5 (0.66) PRMT5WDR77DRD3DRD2

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-2935243-B1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF EPIZYME INC (US) 2018-03-14 EP disclosed