SCHEMBL6563585

SCHEMBL6563585

Cc1cc(N(CCC(=O)O)C(=O)C2CC2)c(C)cc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.40
SLC22A2 O15244 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
PROC P04070 1/20 0.37
HPN P05981 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
NQO2 P16083 1/20 0.37
PRSS3 P35030 1/20 0.37
SLC47A2 Q86VL8 1/20 0.37
SLC47A1 Q96FL8 1/20 0.37
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL6563280 0.92 NQO2 (0.35) F2PLGPRSS1PRSS2NQO2
SCHEMBL6563331 0.88 F2 (0.43) F2ITGB3ITGA2B
SCHEMBL6564229 0.88 F2 (0.43) F2SLC22A2F10PLGPLAT
SCHEMBL7676372 0.86 F2 (0.43) F2
SCHEMBL6562287 0.83 F2 (0.41) F2ITGB3ITGA2B
SCHEMBL6561902 0.83 F2 (0.40) F2ITGB3ITGA2B
SCHEMBL6565268 0.82 F2 (0.38) F2F10PLGPLATPRSS1
SCHEMBL6565357 0.81 F2 (0.37) F2NQO2
SCHEMBL6562044 0.81 NQO2 (0.37) F2F10PRSS1NQO2ITGB3
SCHEMBL6564165 0.80 F2 (0.41) F2SLC22A2F10PLGPLAT

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