SCHEMBL6562052

SCHEMBL6562052

COC(=O)CC(=O)N(c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C)C1CCC1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.34
PLAU P00749 3/20 0.33
HPN P05981 2/20 0.33
F10 P00742 6/20 0.32
PRSS1 P07477 4/20 0.32
F7 P08709 2/20 0.32
PRSS2 P07478 1/20 0.32
F3 P13726 1/20 0.32
PRSS3 P35030 1/20 0.32
KLK5 Q9Y337 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
KLK1 P06870 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
SCHEMBL6562361 0.90 F2 (0.40) F2F10PRSS1F7PRSS2
SCHEMBL6563127 0.88 F2 (0.37) F2PLAUHPNF10PRSS1
SCHEMBL6563351 0.85
SCHEMBL6561947 0.83 F10 (0.36) F2PLAUF10PRSS1F7
SCHEMBL6563705 0.80 PRSS1 (0.35) F2PLAUF10PRSS1F7
SCHEMBL6563280 0.80 NQO2 (0.35) F2PRSS1PRSS2PRSS3ITGB3
SCHEMBL6565357 0.79 F2 (0.37) F2
SCHEMBL6563596 0.79 F2 (0.35) F2PLAUHPNF10PRSS1
SCHEMBL6562044 0.79 NQO2 (0.37) F2F10PRSS1F7ITGB3
SCHEMBL6563633 0.78 NQO2 (0.37) F2F10PRSS1F7ITGB3

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