SCHEMBL6563705

SCHEMBL6563705

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 9/20 0.35
F2 P00734 8/20 0.35
F10 P00742 4/20 0.35
F7 P08709 2/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
PLAU P00749 2/20 0.33
PLAT P00750 2/20 0.33
F3 P13726 1/20 0.33
NQO2 P16083 1/20 0.32
PLG P00747 1/20 0.32
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
TMPRSS6 Q8IU80 2/20 0.31
ST14 Q9Y5Y6 2/20 0.31

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
SCHEMBL6562044 0.91 NQO2 (0.37) PRSS1F2F10F7ITGB3
SCHEMBL6565268 0.91 F2 (0.38) PRSS1F2F10F7ITGB3
SCHEMBL6561948 0.88 ITGB3 (0.36) PRSS1F2F10F7ITGB3
SCHEMBL6563331 0.86 F2 (0.43) F2ITGB3ITGA2B
SCHEMBL7677445 0.86 ITGB3 (0.36) PRSS1F2F10F7ITGB3
SCHEMBL6563633 0.85 NQO2 (0.37) PRSS1F2F10F7ITGB3
SCHEMBL6562040 0.85
SCHEMBL6565357 0.84 F2 (0.37) F2NQO2
SCHEMBL6563243 0.84 ITGB3 (0.39) PRSS1F2F10F7ITGB3
SCHEMBL6563285 0.83 ITGB3 (0.39) PRSS1F2F10F7ITGB3

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 4 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
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed