SCHEMBL6565989

SCHEMBL6565989

Cc1cc(N(C(=O)NCC(=O)O)C(C)C)ccc1C#CCNc1ccc(C(=N)N)cc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
F7 P08709 8/20 0.34
F2 P00734 8/20 0.34
EGLN1 Q9GZT9 3/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 2/20 0.33
F3 P13726 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
SCHEMBL6561891 0.90 ITGB3 (0.37) ITGB3ITGA2BF7F2F10
SCHEMBL6565297 0.88 F7 (0.38) ITGB3ITGA2BF7F2EGLN1
SCHEMBL4250057 0.88 ITGB3 (0.38) ITGB3ITGA2BF7F2EGLN1
SCHEMBL7674133 0.85 ITGB3 (0.36) ITGB3ITGA2BF7F2EGLN1
SCHEMBL6561866 0.85 ITGB3 (0.37) ITGB3ITGA2BF2F10
SCHEMBL7678053 0.83 ITGB3 (0.36) ITGB3ITGA2BF7F2EGLN1
SCHEMBL6563260 0.83 F10 (0.34) ITGB3ITGA2BF7F2F10
SCHEMBL6565922 0.82 F7 (0.39) ITGB3ITGA2BF7F2EGLN1
SCHEMBL6563740 0.81 F7 (0.37) ITGB3ITGA2BF7F2EGLN1
SCHEMBL6565366 0.80 F7 (0.36) ITGB3ITGA2BF7F2F10

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