SCHEMBL19957526

SCHEMBL19957526

O=C(COc1ccccc1-c1cc[nH]n1)NCCCN1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 13/20 0.53
WDR77 Q9BQA1 10/20 0.53
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL15935373 0.84 PRMT5 (0.75) PRMT5WDR77
SCHEMBL15825837 0.84 PRMT5 (0.75) PRMT5WDR77
SCHEMBL15935372 0.84 PRMT5 (0.75) PRMT5WDR77
SCHEMBL19957667 0.79 PRMT5 (0.66) PRMT5WDR77DRD2HTR2ACYP1A2
SCHEMBL19957640 0.79 PRMT5 (0.71) PRMT5WDR77
SCHEMBL19957757 0.79 PRMT5 (0.71) PRMT5WDR77
SCHEMBL19957605 0.78 PRMT5 (0.72) PRMT5WDR77DRD2HTR2A
SCHEMBL15825065 0.78 PRMT5 (0.70) PRMT5WDR77
SCHEMBL19957637 0.77 PRMT5 (0.71) PRMT5WDR77DRD2HTR2A
SCHEMBL19957594 0.77 PRMT5 (0.71) PRMT5WDR77DRD2HTR2A

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