SCHEMBL6562071

SCHEMBL6562071

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.34
PRSS1 P07477 6/20 0.34
F7 P08709 6/20 0.34
F3 P13726 5/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
ITGB3 P05106 3/20 0.33
ITGA2B P08514 3/20 0.33
MRGPRX1 Q96LB2 2/20 0.32
F2 P00734 8/20 0.32
PLAU P00749 3/20 0.31
PLG P00747 2/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
HPN P05981 1/20 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
SCHEMBL6565190 0.94 MRGPRX1 (0.33) F10PRSS1ITGB3ITGA2BMRGPRX1
SCHEMBL6563915 0.87 ITGB3 (0.35) F10PRSS1PRSS2PRSS3ITGB3
SCHEMBL6561947 0.86 F10 (0.36) F10PRSS1F7F3PRSS2
SCHEMBL4250003 0.85 ITGB3 (0.37) F10PRSS1F7F3PRSS2
SCHEMBL6563578 0.85 ITGB3 (0.37) PRSS1F7ITGB3ITGA2BF2
SCHEMBL6562025 0.85 ITGB3 (0.36) F10PRSS1F7F3PRSS2
SCHEMBL6562499 0.84 ITGB3 (0.34) F10PRSS1F7F3PRSS2
SCHEMBL6563611 0.84 ITGB3 (0.38) F10PRSS1F7F3PRSS2
SCHEMBL7677426 0.83 ITGB3 (0.35) F10PRSS1F7F3PRSS2
SCHEMBL6563086 0.83 F2 (0.39) F10PRSS1F7ITGB3ITGA2B

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