SCHEMBL4604696

SCHEMBL4604696

O=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.69

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
SCHEMBL4604418 0.86 F10 (0.78) F10
SCHEMBL4606847 0.86 F10 (0.78) F10
SCHEMBL4605676 0.84 F10 (0.76) F10
SCHEMBL5537707 0.84 F10 (0.66) F10
SCHEMBL4606285 0.82 F10 (1.00) F10
SCHEMBL4598453 0.77 F10 (0.56) F10
SCHEMBL4599376 0.77 F10 (0.56) F10
SCHEMBL12373438 0.76 F10 (0.63) F10
SCHEMBL1030240 0.76 F10 (0.63) F10
SCHEMBL4598108 0.76 F10 (0.69) F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP claimed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO claimed
EP-1948639-A2 NOVEL CARBOCYCLIC FUSED CYCLIC AMINES F. Hoffmann-la Roche AG (CH) 2008-07-30 EP disclosed
WO-2007054453-A2 CARBOCYCLIC FUSED CYCLIC AMINES AS INHIBITORS OF THE COAGULATION FACTOR XA F. HOFFMANN-LA ROCHE AG (CH) 2007-05-18 WO disclosed