SCHEMBL2575444

SCHEMBL2575444

Nc1nccc2cc(NC(=O)C(O)C3OCCN(c4ccc(OC(F)(F)F)cc4)C3=O)ccc12

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F9 P00740 16/20 0.77
LIPE Q05469 2/20 0.40
MAPK7 Q13164 1/20 0.39
GRM4 Q14833 1/20 0.38

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
SCHEMBL1949065 1.00 F9 (0.77) F9LIPEMAPK7GRM4
Hydrochloric Acid SCHEMBL1947903 0.99 F9 (0.76) F9LIPEMAPK7GRM4
SCHEMBL1948693 0.90 F9 (0.81) F9GRM4
Hydrochloric Acid SCHEMBL1949599 0.89 F9 (0.79) F9GRM4
SCHEMBL1949616 0.89 F9 (0.84) F9GRM4
SCHEMBL1948018 0.88 F9 (0.81) F9GRM4
Hydrochloric Acid SCHEMBL1949703 0.88 F9 (0.83) F9GRM4
Hydrochloric Acid SCHEMBL1948327 0.88 F9 (0.80) F9GRM4
SCHEMBL1947457 0.87 F9 (1.00) F9GRM4
SCHEMBL1950493 0.87 F9 (1.00) F9GRM4

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-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP claimed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO claimed