SCHEMBL6563578

SCHEMBL6563578

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.37
ITGA2B P08514 8/20 0.37
F7 P08709 1/20 0.36
F2 P00734 8/20 0.35
PLAU P00749 1/20 0.33
PRSS1 P07477 2/20 0.32
TMPRSS15 P98073 2/20 0.32

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
SCHEMBL6565274 0.90 ITGB3 (0.39) ITGB3ITGA2BF7F2PLAU
SCHEMBL6563611 0.89 ITGB3 (0.38) ITGB3ITGA2BF7F2PLAU
SCHEMBL6561895 0.88 ITGB3 (0.35) ITGB3ITGA2BF7F2PLAU
SCHEMBL4250003 0.87 ITGB3 (0.37) ITGB3ITGA2BF7F2PLAU
SCHEMBL7671732 0.86 PLAU (0.33) ITGB3ITGA2BF2PLAU
SCHEMBL6563915 0.86 ITGB3 (0.35) ITGB3ITGA2BF2PLAUPRSS1
SCHEMBL6565377 0.86 ITGB3 (0.41) ITGB3ITGA2BF7F2PLAU
SCHEMBL6562071 0.85 F10 (0.34) ITGB3ITGA2BF7F2PLAU
SCHEMBL6563300 0.85 ITGB3 (0.37) ITGB3ITGA2BF7F2PLAU
SCHEMBL6563542 0.85 ITGB3 (0.37) ITGB3ITGA2BF7F2PLAU

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