SCHEMBL6565268

SCHEMBL6565268

CCC(=O)N(CC(=O)O)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.38
PRSS1 P07477 4/20 0.34
F10 P00742 3/20 0.34
F7 P08709 2/20 0.34
PRSS2 P07478 1/20 0.34
F3 P13726 1/20 0.34
PRSS3 P35030 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 1/20 0.33
KLK1 P06870 1/20 0.33
KLK5 Q9Y337 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
SCHEMBL6563331 0.92 F2 (0.43) F2ITGB3ITGA2B
SCHEMBL7677445 0.91 ITGB3 (0.36) F2PRSS1F10F7PRSS2
SCHEMBL6563705 0.91 PRSS1 (0.35) F2PRSS1F10F7PRSS2
SCHEMBL6565342 0.86 ITGB3 (0.38) F2F10F7ITGB3ITGA2B
SCHEMBL6561948 0.86 ITGB3 (0.36) F2PRSS1F10F7PRSS2
SCHEMBL6561902 0.86 F2 (0.40) F2ITGB3ITGA2B
SCHEMBL6562044 0.85 NQO2 (0.37) F2PRSS1F10F7ITGB3
SCHEMBL7676372 0.85 F2 (0.43) F2
SCHEMBL6562287 0.84 F2 (0.41) F2ITGB3ITGA2B
SCHEMBL6565520 0.84 ITGB3 (0.36) F2PRSS1F10ITGB3ITGA2B

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