SCHEMBL6563127

SCHEMBL6563127

COC(=O)CC(=O)N(c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1C)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.37
PLAU P00749 6/20 0.32
HPN P05981 6/20 0.32
F7 P08709 3/20 0.32
F3 P13726 2/20 0.32
F10 P00742 3/20 0.31
PRSS1 P07477 3/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
LMNA P02545 1/20 0.31
PLG P00747 1/20 0.31
ST14 Q9Y5Y6 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
SCHEMBL6563596 0.91 F2 (0.35) F2PLAUHPNF7F3
SCHEMBL6562052 0.88 F2 (0.34) F2PLAUHPNF7F3
SCHEMBL6563430 0.86 PTPN11 (0.33)
SCHEMBL6563647 0.82 F7 (0.36) F2F7F3F10PRSS1
SCHEMBL5885837 0.79 LMNA (0.43) F2PLAUHPNF10PRSS1
SCHEMBL6564290 0.79 ACACB (0.39) F2PLAUF7F3F10
Hydrochloric Acid SCHEMBL5885120 0.79 LMNA (0.42) F2PLAUHPNF10PRSS1
SCHEMBL6562361 0.78 F2 (0.40) F2F7F3F10PRSS1
SCHEMBL5885378 0.77 F2 (0.34) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5885784 0.76 F2 (0.34) F2F10PRSS1PRSS2PRSS3

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