SCHEMBL4421871

SCHEMBL4421871

CC(C)N1CCC(NC(=O)c2nn(Cc3cc(-c4ccc(Cl)s4)on3)c3ccc(C(=O)N4CC(OC(=O)O)C4)cc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.74
F2 P00734 1/20 0.53
KLK1 P06870 1/20 0.53

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
SCHEMBL4413057 0.92 F10 (0.77) F10F2KLK1
SCHEMBL4413121 0.90 F10 (0.74) F10F2KLK1
SCHEMBL4421875 0.89 F10 (0.84) F10F2KLK1
Acetic Acid SCHEMBL4416612 0.88 F10 (0.82) F10F2KLK1
SCHEMBL4414168 0.88 F10 (0.82) F10F2KLK1
SCHEMBL4412872 0.87 F10 (0.77) F10F2KLK1
SCHEMBL4416608 0.86 F10 (0.80) F10F2KLK1
SCHEMBL4415762 0.86 F10 (0.82) F10F2KLK1
SCHEMBL4415619 0.86 F10 (0.81) F10F2KLK1
SCHEMBL4421885 0.86 F10 (0.78) F10F2KLK1

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
EP-1628972-B1 INDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-04-22 EP claimed