SCHEMBL4638729

SCHEMBL4638729

N#Cc1cc(N2CCOCC2=O)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.45
PIK3CD O00329 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
Trifluoroacetic Acid SCHEMBL4638732 0.81 PIK3CD (0.43) F10PIK3CD
Trifluoroacetic Acid SCHEMBL4638725 0.78 PIK3CD (0.42) F10PIK3CD
SCHEMBL3556995 0.77 F10 (0.42) F10PIK3CD
SCHEMBL13675147 0.76 F10 (0.41) F10PIK3CD
SCHEMBL3551807 0.75 PIK3CD (0.50) F10PIK3CDKDM4ESMN1; SMN2
SCHEMBL13674874 0.75 F10 (0.44) F10PIK3CD
SCHEMBL3556991 0.75 F10 (0.43) F10PIK3CD
SCHEMBL4639953 0.75 PIK3CD (0.46) F10PIK3CD
SCHEMBL4638999 0.72 ABCC9 (0.44) F10
SCHEMBL6814419 0.71 ABCC9 (0.46) KDM4E

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-1951717-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F.HOFFMANN-LA ROCHE AG (CH) 2008-08-06 EP disclosed
WO-2007057317-A1 NOVEL PYRROLIDINE DERIVATIVES AS INHIBITORS OF COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-24 WO disclosed