SCHEMBL6563579

SCHEMBL6563579

CCOC(=O)CCC(=O)N(c1cc(C)c(C#CCOc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.37
F10 P00742 11/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
LTB4R Q15722 2/20 0.35
TPSAB1 Q15661 1/20 0.33
TPSD1 Q9BZJ3 1/20 0.33
TPSG1 Q9NRR2 1/20 0.33
LTB4R2 Q9NPC1 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
SCHEMBL6562325 0.91 PRSS1 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6563242 0.87 EGLN1 (0.39)
SCHEMBL6563607 0.86 ITGB3 (0.40) F2F10PRSS1PRSS2PRSS3
SCHEMBL6565338 0.85 F2 (0.36) F2F10PRSS1PRSS2PRSS3
SCHEMBL6565355 0.82 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL6562064 0.80 ADAM17 (0.43) F2F10
SCHEMBL6565346 0.80 ITGB3 (0.39) F2F10PRSS1PRSS2PRSS3
SCHEMBL6561873 0.77 ITGB3 (0.38) F2F10PRSS1PRSS2PRSS3
SCHEMBL6565274 0.77 ITGB3 (0.39) F2F10PRSS1PRSS2PRSS3
SCHEMBL6563233 0.77 TMPRSS15 (0.38) F2PRSS1PRSS2PRSS3ITGB3

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