SCHEMBL6563331

SCHEMBL6563331

CCC(=O)N(CCC(=O)O)c1cc(C)c(C#CCNc2ccc(C(=N)N)cc2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.43
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL7676372 0.94 F2 (0.43) F2
SCHEMBL6562044 0.92 NQO2 (0.37) F2ITGB3ITGA2B
SCHEMBL6565268 0.92 F2 (0.38) F2ITGB3ITGA2B
SCHEMBL6562287 0.91 F2 (0.41) F2ITGB3ITGA2B
SCHEMBL6564229 0.91 F2 (0.43) F2ITGB3ITGA2B
SCHEMBL6561902 0.89 F2 (0.40) F2ITGB3ITGA2B
SCHEMBL6563585 0.88 F2 (0.40) F2ITGB3ITGA2B
SCHEMBL7677445 0.87 ITGB3 (0.36) F2ITGB3ITGA2B
SCHEMBL6563705 0.86 PRSS1 (0.35) F2ITGB3ITGA2B
SCHEMBL6563633 0.86 NQO2 (0.37) F2ITGB3ITGA2B

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