SCHEMBL7915669

SCHEMBL7915669

C=C(N=C(N)N)c1ccc2cccc(-c3ncccc3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.41
PLAU P00749 3/20 0.36
F2 P00734 2/20 0.36
PLG P00747 2/20 0.36
PLAT P00750 2/20 0.36
KLK1 P06870 2/20 0.36
PRSS1 P07477 2/20 0.36
SLC9A1 P19634 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL16502799 0.86 HTR5A (0.56) HTR5ASLC9A1
SCHEMBL7919941 0.84 PLAU (0.41) HTR5APLAUF2PLGPLAT
SCHEMBL7916046 0.84 HTR5A (0.39) HTR5APLAUF2PLGPLAT
SCHEMBL16502630 0.78 PLA2G2D (0.46) PLAUHCRTR1HCRTR2
SCHEMBL7916601 0.76 TNF (0.43) HTR5APLAUF2PLGPLAT
SCHEMBL7918769 0.75 CNR2 (0.39) PLAUF2PLGPLATKLK1
SCHEMBL7916829 0.74 ALOX15 (0.52) HCRTR1HCRTR2NPC1
SCHEMBL7923157 0.73 HTR5A (0.53) HTR5ASLC9A1
SCHEMBL16502816 0.73 HTR5A (0.51) HTR5ASLC9A1
SCHEMBL16509478 0.73 HTR5A (0.46) HTR5ASLC9A1

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
WO-2010090304-A1 ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-12 WO disclosed