SCHEMBL8333772

SCHEMBL8333772

CC(C)(C)OC(=O)NCCC(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.61
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MTOR P42345 1/20 0.45
CD274 Q9NZQ7 1/20 0.44

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
SCHEMBL1383122 0.79 F10 (0.60) F10MTOR
SCHEMBL14838714 0.79 F10 (0.45) F10
SCHEMBL8692897 0.79 CA1 (0.66) CA1CA2
SCHEMBL6181035 0.79 F10 (0.60) F10
SCHEMBL1380646 0.78 F10 (0.62) F10
SCHEMBL1679321 0.78 F10 (0.65) F10
SCHEMBL5629380 0.78 F10 (0.72) F10
SCHEMBL1380603 0.78 F10 (0.59) F10
SCHEMBL6182831 0.78 F10 (0.59) F10MTOR
SCHEMBL1381539 0.78 F10 (0.59) F10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065369-A1 CARBOXAMIDE DERIVATIVES AND THEIR USE AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2004-08-05 WO disclosed