SCHEMBL19957697

SCHEMBL19957697

COc1ccc2cccc(CCC(=O)NCCCN3CCc4ccccc4C3)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.60
MTNR1B P49286 10/20 0.60
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
USP2 O75604 1/20 0.47
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 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
SCHEMBL19957718 0.84 PRMT5 (0.73) PRMT5WDR77ALDH1A1KDM4ENPC1
SCHEMBL19957662 0.73 PRMT5 (0.71) PRMT5WDR77LMNATSHRMAPK1
SCHEMBL19957670 0.73 PRMT5 (0.73) PRMT5WDR77LMNATSHRMAPK1
SCHEMBL19957640 0.72 PRMT5 (0.71) PRMT5WDR77ALDH1A1KDM4EHPGD
SCHEMBL19957533 0.72 PRMT5 (0.74) PRMT5WDR77
SCHEMBL7237584 0.71 DRD2 (0.62) PRMT5WDR77ALDH1A1GAAHPGD
SCHEMBL19957688 0.71 PRMT5 (0.71) PRMT5WDR77LMNATSHRMAPK1
SCHEMBL19957615 0.71 PRMT5 (0.71) PRMT5WDR77LMNAMAPK1ALDH1A1
SCHEMBL13135921 0.70 CYP2D6 (0.63) PRMT5WDR77GAAHPGDHTT
SCHEMBL15935388 0.69 PRMT5 (1.00) PRMT5WDR77

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