SCHEMBL19957761

SCHEMBL19957761

O=C(CCC1CCCCC1)NCCCN1CCc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 4/20 0.57
WDR77 Q9BQA1 4/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP2D6 P10635 2/20 0.56
CYP3A4 P08684 1/20 0.56
DRD2 P14416 5/20 0.55
HTR2A P28223 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC2 Q92769 1/20 0.54
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 1/20 0.53
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL19957643 0.89 PRMT5 (0.67) PRMT5WDR77ALDH1A1CYP2D6CYP3A4
SCHEMBL15834077 0.81 PRMT5 (0.81) PRMT5WDR77
SCHEMBL15833951 0.81 PRMT5 (0.81) PRMT5WDR77
SCHEMBL15834007 0.81 PRMT5 (0.81) PRMT5WDR77
SCHEMBL19957941 0.79 PRMT5 (0.64) PRMT5WDR77
SCHEMBL23004926 0.78 ACHE (0.68) PRMT5WDR77DRD2HTR2A
SCHEMBL7237584 0.78 DRD2 (0.62) PRMT5WDR77ALDH1A1CYP2D6CYP3A4
SCHEMBL20502177 0.77 DRD2 (0.66) PRMT5WDR77CYP2D6CYP3A4DRD2
SCHEMBL491722 0.77 ALDH1A1 (0.80) ALDH1A1CYP2D6CYP3A4CYP1A2MAPT
SCHEMBL19957570 0.77 ALDH1A1 (0.71) PRMT5WDR77ALDH1A1CYP2D6DRD2

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