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SCHEMBL1444009

SCHEMBL1444009

CC(=O)O[C@@H](C(=O)Nc1ccc(C#N)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1)[C@H]1OCCN(c2ccc3[nH]c(=O)ccc3c2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 6/20 0.34
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL1438832 0.91 F9 (0.42) F9ROCK2
SCHEMBL15104431 0.89 F9 (0.34) F9ROCK2
SCHEMBL1945949 0.89 F9 (0.34) F9ROCK2
SCHEMBL15103410 0.87 F9 (0.36) F9
SCHEMBL15103439 0.87 F9 (0.35) F9
SCHEMBL15103418 0.86 F9 (0.35) F9
SCHEMBL12812981 0.85 F9 (0.38) F9
SCHEMBL15103451 0.85 F9 (0.34) F9
SCHEMBL15104482 0.85 F9 (0.33) F9
SCHEMBL1947767 0.85 F9 (0.38) F9

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-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 — — EP disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 — — WO disclosed