SCHEMBL6563233

SCHEMBL6563233

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 8/20 0.38
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
PRSS1 P07477 4/20 0.35
EGLN1 Q9GZT9 1/20 0.34
F2 P00734 3/20 0.34
ADAM17 P78536 2/20 0.33
LTB4R Q15722 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33

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
SCHEMBL6565338 0.91 F2 (0.36) TMPRSS15ITGB3ITGA2BPRSS1F2
SCHEMBL6563619 0.88 F2 (0.41) TMPRSS15ITGB3ITGA2BPRSS1F2
SCHEMBL6562325 0.83 PRSS1 (0.36) TMPRSS15ITGB3ITGA2BPRSS1EGLN1
SCHEMBL6563711 0.80 ADAM17 (0.47) ADAM17MMP1MMP9MMP13
SCHEMBL6565355 0.80 F2 (0.42) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL6563579 0.77 F2 (0.37) ITGB3ITGA2BPRSS1F2LTB4R
SCHEMBL6564229 0.75 F2 (0.43) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL6563331 0.74 F2 (0.43) ITGB3ITGA2BF2
SCHEMBL7676372 0.73 F2 (0.43) F2
SCHEMBL6562064 0.73 ADAM17 (0.43) F2ADAM17MMP1MMP9MMP13

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