SCHEMBL11249024

SCHEMBL11249024

O=C(O)c1ccc(NCCCCCCCCCCCCCCCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.47
F2 P00734 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
EPHX2 P34913 2/20 0.42
PLK1 P53350 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL29384484 1.00 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11258943 1.00 PRSS1 (0.47) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11260978 0.98 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11241832 0.88 PRSS1 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11255138 0.88 PRSS1 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11258162 0.88 PRSS1 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11244404 0.86 PRSS1 (0.44) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11560139 0.86 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11503287 0.86 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11070951 0.86 PRSS1 (0.46) PRSS1F2PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US claimed
US-4318914-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-03-09 US disclosed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US disclosed
US-4305959-A Hypolipidemic and antiatherosclerotic 4-(polyfluoro-alkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1981-12-15 US disclosed
US-4205085-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-05-27 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed