SCHEMBL6563364

SCHEMBL6563364

CCOC(=O)CNC(=O)CC1CCCN1C(=O)c1ccc(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.36
ITGA2B P08514 5/20 0.36
PLG P00747 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNK3 O14649 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
FAP Q12884 1/20 0.33
DPP4 P27487 3/20 0.33
F2 P00734 2/20 0.33

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
SCHEMBL6561984 0.92 MEN1 (0.40) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL6562329 0.91 F2 (0.37) ITGB3ITGA2BPRSS1F2HCRTR1
SCHEMBL6565371 0.88 KCNK3 (0.34) ITGB3ITGA2BMEN1RAB9AKMT2A
SCHEMBL6565372 0.88 ITGB3 (0.38) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL6565523 0.88 ITGB3 (0.38) ITGB3ITGA2BPLGPRSS1PRSS2
SCHEMBL6565424 0.86 ITGB3 (0.42) ITGB3ITGA2BPRSS1F2HCRTR1
SCHEMBL6565845 0.82 F2 (0.36) ITGB3ITGA2BPRSS1F2
SCHEMBL6564957 0.81 F2 (0.38) ITGB3ITGA2BPRSS1F2HCRTR1
SCHEMBL6563779 0.81 KCNK3 (0.38) ITGB3ITGA2BMEN1RAB9AKMT2A
SCHEMBL6565512 0.81 GAA (0.40) PRSS1MEN1KMT2AF2GAA

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