SCHEMBL8424360

SCHEMBL8424360

CN(C)CCCOc1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccc(C(=O)NCCN4CCc5ccccc5C4)cc3)[nH]c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.46
WDR77 Q9BQA1 2/20 0.46
LMNA P02545 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
HPGD P15428 1/20 0.45
OPRM1 P35372 1/20 0.45
CACNA1B Q00975 1/20 0.45
HSD17B10 Q99714 2/20 0.43
OPRK1 P41145 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SERPINE1 P05121 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
NAMPT P43490 2/20 0.42

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
SCHEMBL8424366 1.00 PRMT5 (0.46) PRMT5WDR77LMNAHRH3DRD2
SCHEMBL8428415 0.95 DRD3 (0.53) PRMT5WDR77LMNAHRH3DRD2
SCHEMBL8428423 0.95 DRD3 (0.53) PRMT5WDR77LMNAHRH3DRD2
SCHEMBL8425898 0.85 DRD2 (0.57) PRMT5WDR77LMNADRD2DRD3
SCHEMBL8425893 0.85 DRD2 (0.57) PRMT5WDR77LMNADRD2DRD3
SCHEMBL8428518 0.83 CACNA1B (0.52) LMNAHRH3HPGDCACNA1BHSD17B10
SCHEMBL8428514 0.83 CACNA1B (0.52) LMNAHRH3HPGDCACNA1BHSD17B10
SCHEMBL8426178 0.82 DRD2 (0.63) PRMT5WDR77LMNADRD2DRD3
SCHEMBL8426184 0.82 DRD2 (0.63) PRMT5WDR77LMNADRD2DRD3
SCHEMBL8426018 0.81 DRD3 (0.67) PRMT5WDR77LMNADRD2DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745070-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1996-12-04 EP claimed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO claimed
US-5891877-A INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR XENOVA LIMITED (GB) 1999-04-06 US disclosed
WO-1995021832-A1 PHARMACEUTICAL PIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-08-17 WO disclosed