SCHEMBL6563619

SCHEMBL6563619

Cc1cc(N(CCC(=O)O)C(=O)c2ccccc2)c(C)cc1C#CCOc1ccc(C(=N)N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.41
F10 P00742 2/20 0.37
SLC22A2 O15244 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
PROC P04070 1/20 0.37
HPN P05981 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
NQO2 P16083 1/20 0.37
PRSS3 P35030 1/20 0.37
SLC47A2 Q86VL8 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
ADAM17 P78536 1/20 0.37
TMPRSS15 P98073 2/20 0.36

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
SCHEMBL6565355 0.92 F2 (0.42) F2F10PRSS1PRSS2NQO2
SCHEMBL6563233 0.88 TMPRSS15 (0.38) F2PRSS1PRSS2PRSS3ITGB3
SCHEMBL6563711 0.84 ADAM17 (0.47) MMP1MMP9MMP13ADAM17
SCHEMBL6562325 0.81 PRSS1 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6563152 0.81 F2 (0.43) F2F10SLC22A2PLGPLAT
SCHEMBL6565338 0.79 F2 (0.36) F2F10PLGPRSS1PRSS2
SCHEMBL6565497 0.77 PLAU (0.48) F2PRSS1PRSS2PRSS3MMP1
SCHEMBL6562064 0.76 ADAM17 (0.43) F2F10MMP1MMP9MMP13
SCHEMBL6564229 0.75 F2 (0.43) F2F10SLC22A2PLGPLAT
SCHEMBL6563579 0.75 F2 (0.37) F2F10PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed