SCHEMBL8425893

SCHEMBL8425893

O=C(NCCN1CCc2ccccc2C1)c1ccc(/C=c2\[nH]c(=O)/c(=C/c3ccccc3)[nH]c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
DRD3 P35462 2/20 0.57
OPRM1 P35372 1/20 0.55
PRMT5 O14744 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
WDR77 Q9BQA1 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
OPRK1 P41145 1/20 0.50
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
SIGMAR1 Q99720 2/20 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
SCHEMBL8425898 1.00 DRD2 (0.57) DRD2DRD3OPRM1PRMT5KDM4E
SCHEMBL8426178 0.94 DRD2 (0.63) DRD2DRD3OPRM1PRMT5KDM4E
SCHEMBL8426184 0.94 DRD2 (0.63) DRD2DRD3OPRM1PRMT5KDM4E
SCHEMBL8426019 0.93 DRD3 (0.67) DRD2DRD3OPRM1PRMT5LMNA
SCHEMBL8426018 0.93 DRD3 (0.67) DRD2DRD3OPRM1PRMT5LMNA
SCHEMBL8333009 0.89 DRD2 (0.50) DRD2DRD3OPRM1PRMT5KDM4E
SCHEMBL8333005 0.89 DRD2 (0.50) DRD2DRD3OPRM1PRMT5KDM4E
SCHEMBL9263247 0.87 PRMT5 (0.59) DRD2DRD3PRMT5KDM4EWDR77
SCHEMBL9263228 0.87 PRMT5 (0.59) DRD2DRD3PRMT5KDM4EWDR77
SCHEMBL8424360 0.85 PRMT5 (0.46) DRD2DRD3OPRM1PRMT5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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