SCHEMBL7904802

SCHEMBL7904802

CC(C)(C)OC(=O)N(Cc1cc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(N4CCOCC4=O)c3)C2=O)ccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.45
P2RX4 Q99571 2/20 0.36
BACE1 P56817 1/20 0.35
PTGS2 P35354 1/20 0.34
F10 P00742 5/20 0.34

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
SCHEMBL1947226 0.91 F9 (0.36) F9P2RX4BACE1PTGS2F10
SCHEMBL1947224 0.91 F9 (0.36) F9P2RX4BACE1PTGS2F10
SCHEMBL12816815 0.90 F9 (0.40) F9P2RX4BACE1PTGS2F10
SCHEMBL12546621 0.90 F9 (0.47) F9P2RX4BACE1PTGS2F10
SCHEMBL16588089 0.89 F9 (0.46) F9P2RX4
SCHEMBL12817540 0.89 F9 (0.47) F9
SCHEMBL12569825 0.89 F9 (0.40) F9P2RX4BACE1F10
SCHEMBL15108894 0.88 F9 (0.43) F9
SCHEMBL16588074 0.87 F9 (0.44) F9
SCHEMBL12812536 0.87 F9 (0.46) 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-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed