SCHEMBL19957645

SCHEMBL19957645

O=C(COc1nc2ccccc2[nH]1)NCCCN1CCc2ccccc2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 6/20 0.71
WDR77 Q9BQA1 6/20 0.71
DRD2 P14416 4/20 0.54
DRD3 P35462 3/20 0.54
HTR7 P34969 2/20 0.54
HTR1A P08908 1/20 0.54
HRH1 P35367 1/20 0.54
HTR2A P28223 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 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
SCHEMBL19957655 0.83 PRMT5 (1.00) PRMT5WDR77
SCHEMBL17300938 0.83 PRMT5 (1.00) PRMT5WDR77
SCHEMBL17300941 0.83 PRMT5 (1.00) PRMT5WDR77
SCHEMBL19957615 0.82 PRMT5 (0.71) PRMT5WDR77DRD2DRD3HTR7
SCHEMBL19957667 0.80 PRMT5 (0.66) PRMT5WDR77DRD2DRD3HTR2A
SCHEMBL19957640 0.76 PRMT5 (0.71) PRMT5WDR77HTR7HPGD
SCHEMBL19957526 0.75 PRMT5 (0.53) PRMT5WDR77DRD2HTR2ACYP1A2
SCHEMBL19957757 0.74 PRMT5 (0.71) PRMT5WDR77GAAHPGD
SCHEMBL19957630 0.73 PRMT5 (0.74) PRMT5WDR77MAPTGAAHPGD
SCHEMBL19957678 0.73 PRMT5 (0.74) PRMT5WDR77ACKR3

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