SCHEMBL6565338

SCHEMBL6565338

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.36
PRSS1 P07477 3/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
NQO2 P16083 1/20 0.35
F10 P00742 8/20 0.34
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
TMPRSS15 P98073 2/20 0.33
LTA4H P09960 2/20 0.33
PLG P00747 1/20 0.32
LTB4R Q15722 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
SCHEMBL6563233 0.91 TMPRSS15 (0.38) F2PRSS1PRSS2PRSS3ITGB3
SCHEMBL6565355 0.88 F2 (0.42) F2PRSS1PRSS2PRSS3NQO2
SCHEMBL6563579 0.85 F2 (0.37) F2PRSS1PRSS2PRSS3F10
SCHEMBL6562064 0.81 ADAM17 (0.43) F2F10LTA4H
SCHEMBL6563619 0.79 F2 (0.41) F2PRSS1PRSS2PRSS3NQO2
SCHEMBL6562325 0.78 PRSS1 (0.36) F2PRSS1PRSS2PRSS3F10
SCHEMBL6561682 0.73 NQO2 (0.39) F2PRSS1NQO2F10ITGB3
SCHEMBL6563285 0.72 ITGB3 (0.39) F2PRSS1NQO2F10ITGB3
SCHEMBL6562044 0.72 NQO2 (0.37) F2PRSS1NQO2F10ITGB3
SCHEMBL6563711 0.72 ADAM17 (0.47)

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