SCHEMBL3833091

SCHEMBL3833091

CC(C)N1CCC(NC(=O)Oc2cc(C(C)(C)C)nn2Cc2cc(-c3ccc(Cl)s3)on2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.67
F2 P00734 1/20 0.58
KLK1 P06870 1/20 0.58

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
SCHEMBL3834020 0.91 F10 (0.70) F10F2KLK1
SCHEMBL3833696 0.90 F10 (0.69) F10F2KLK1
SCHEMBL3837615 0.89 F10 (0.68) F10F2KLK1
SCHEMBL1456536 0.89 F10 (0.77) F10F2KLK1
SCHEMBL3838716 0.87 F10 (0.65) F10F2KLK1
SCHEMBL3839609 0.86 F10 (0.64) F10F2KLK1
SCHEMBL3836091 0.86 F10 (0.64) F10F2KLK1
SCHEMBL3833120 0.85 F10 (0.64) F10F2KLK1
SCHEMBL3837648 0.85 F10 (0.65) F10F2KLK1
SCHEMBL3834932 0.85 F10 (0.65) 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-1581523-B1 PYRAZOLE-DERIVATIVES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-30 EP claimed