SCHEMBL12812947

SCHEMBL12812947

N=C1NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(CC(=O)N5CC[C@@H](O)C5)c4)C3=O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.48
DGAT1 O75907 1/20 0.35
ROCK2 O75116 2/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL12812955 0.92 F9 (0.50) F9
SCHEMBL1438630 0.91 F9 (0.51) F9
SCHEMBL1439994 0.91 F9 (0.46) F9ROCK2
SCHEMBL1438388 0.91 F9 (0.46) F9ROCK2
SCHEMBL1441109 0.89 F9 (0.52) F9
SCHEMBL15104435 0.87 F9 (0.46) F9
SCHEMBL1440213 0.87 F9 (0.46) F9
SCHEMBL12812948 0.87 F9 (0.52) F9ROCK2
SCHEMBL1439372 0.87 F9 (0.51) F9
SCHEMBL1438640 0.86 F9 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed