SCHEMBL6562329

SCHEMBL6562329

Cc1cc(C#CCNc2ccc(C(=N)N)cc2)ccc1C(=O)N1CCCC1CC(=O)NCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.37
PRSS1 P07477 4/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
EGLN1 Q9GZT9 3/20 0.35
SOST Q9BQB4 1/20 0.34
F7 P08709 2/20 0.34
F3 P13726 2/20 0.34
TMPRSS15 P98073 2/20 0.34
F10 P00742 1/20 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
SCHEMBL6565424 0.92 ITGB3 (0.42) F2PRSS1HCRTR1HCRTR2ITGB3
SCHEMBL6563364 0.91 ITGB3 (0.36) F2PRSS1HCRTR1HCRTR2ITGB3
SCHEMBL6564957 0.87 F2 (0.38) F2PRSS1HCRTR1HCRTR2ITGB3
SCHEMBL6565845 0.87 F2 (0.36) F2PRSS1ITGB3ITGA2BF7
SCHEMBL6561984 0.86 MEN1 (0.40) F2PRSS1ITGB3ITGA2BF10
SCHEMBL6565512 0.83 GAA (0.40) F2PRSS1F10
SCHEMBL6565372 0.81 ITGB3 (0.38) F2PRSS1ITGB3ITGA2BF10
SCHEMBL6565523 0.81 ITGB3 (0.38) F2PRSS1HCRTR1HCRTR2ITGB3
SCHEMBL6565371 0.79 KCNK3 (0.34) HCRTR1HCRTR2ITGB3ITGA2B
SCHEMBL6565851 0.79 F2 (0.37) F2PRSS1ITGB3ITGA2BF7

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