SCHEMBL19957643

SCHEMBL19957643

O=C(CC1CCCCC1)NCCCN1CCc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.67
WDR77 Q9BQA1 5/20 0.67
CYP2D6 P10635 2/20 0.58
CYP3A4 P08684 1/20 0.58
DRD2 P14416 3/20 0.57
HTR2A P28223 1/20 0.57
HTT P42858 1/20 0.55
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
DRD3 P35462 2/20 0.53
ADRA1A P35348 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53

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
SCHEMBL19957761 0.89 PRMT5 (0.57) PRMT5WDR77CYP2D6CYP3A4DRD2
SCHEMBL19957747 0.80 PRMT5 (1.00) PRMT5WDR77
SCHEMBL15935366 0.80 PRMT5 (1.00) PRMT5WDR77
SCHEMBL15935363 0.80 PRMT5 (1.00) PRMT5WDR77
SCHEMBL7237584 0.80 DRD2 (0.62) PRMT5WDR77CYP2D6CYP3A4DRD2
SCHEMBL20502177 0.79 DRD2 (0.66) PRMT5WDR77CYP2D6CYP3A4DRD2
SCHEMBL19957570 0.79 ALDH1A1 (0.71) PRMT5WDR77CYP2D6DRD2HTR2A
SCHEMBL13135921 0.78 CYP2D6 (0.63) PRMT5WDR77CYP2D6CYP3A4DRD2
SCHEMBL22545843 0.77 PRMT5 (0.72) PRMT5WDR77CYP2D6CYP3A4DRD2
SCHEMBL19957667 0.76 PRMT5 (0.66) PRMT5WDR77CYP2D6DRD2HTR2A

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