SCHEMBL6561836

SCHEMBL6561836

CCOC(=O)CCC(=O)N(c1cc(C)c(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1C)C1CCC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.32
F10 P00742 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
SCHEMBL6563351 0.91
SCHEMBL6565483 0.87 SMN1; SMN2 (0.30)
SCHEMBL6565327 0.87
SCHEMBL6562361 0.86 F2 (0.40) F2F10
SCHEMBL6561955 0.86 SMN1; SMN2 (0.31)
SCHEMBL6563541 0.83 PTGES (0.34) F2F10
SCHEMBL6563430 0.81 PTPN11 (0.33)
SCHEMBL6561824 0.80 MAPT (0.31)
SCHEMBL6561854 0.79
SCHEMBL6562040 0.79

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