SCHEMBL6562325

SCHEMBL6562325

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 6/20 0.36
PRSS2 P07478 3/20 0.36
PRSS3 P35030 3/20 0.36
LTB4R Q15722 2/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
TMPRSS15 P98073 5/20 0.34
F10 P00742 2/20 0.34
F2 P00734 2/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33
F7 P08709 1/20 0.32
F3 P13726 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
SCHEMBL6563579 0.91 F2 (0.37) PRSS1PRSS2PRSS3LTB4RITGB3
SCHEMBL6563611 0.85 ITGB3 (0.38) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL6563233 0.83 TMPRSS15 (0.38) PRSS1PRSS2PRSS3LTB4RITGB3
SCHEMBL6563619 0.81 F2 (0.41) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL6563711 0.79 ADAM17 (0.47) MMP1MMP9MMP13ADAM17
SCHEMBL6565338 0.78 F2 (0.36) PRSS1PRSS2PRSS3LTB4RITGB3
SCHEMBL6563242 0.78 EGLN1 (0.39) MMP1MMP9MMP13ADAM17EGLN1
SCHEMBL6563607 0.77 ITGB3 (0.40) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL4250003 0.77 ITGB3 (0.37) PRSS1PRSS2PRSS3ITGB3ITGA2B
SCHEMBL6565355 0.77 F2 (0.42) PRSS1PRSS2PRSS3ITGB3ITGA2B

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