SCHEMBL6561866

SCHEMBL6561866

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.37
ITGA2B P08514 14/20 0.37
F2 P00734 2/20 0.33
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
SCHEMBL6563661 0.91 F2 (0.37) ITGB3ITGA2BF2F10
SCHEMBL6563260 0.88 F10 (0.34) ITGB3ITGA2BF2F10
SCHEMBL6565387 0.85 ITGB3 (0.35) ITGB3ITGA2BF2
SCHEMBL6565989 0.85 ITGB3 (0.36) ITGB3ITGA2BF2F10
SCHEMBL6563063 0.84 ITGB3 (0.34) ITGB3ITGA2BF2F10
SCHEMBL6563578 0.80 ITGB3 (0.37) ITGB3ITGA2BF2
SCHEMBL6565226 0.79 ITGB3 (0.34) ITGB3ITGA2BF2F10
SCHEMBL6561891 0.79 ITGB3 (0.37) ITGB3ITGA2BF2F10
SCHEMBL7671054 0.78 F2 (0.34) ITGB3ITGA2BF2F10
SCHEMBL4250003 0.78 ITGB3 (0.37) ITGB3ITGA2BF2F10

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