SCHEMBL3369778

SCHEMBL3369778

CC(C)N1CCC(NC(=O)Oc2nc3cccnc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.70
F2 P00734 1/20 0.61
KLK1 P06870 1/20 0.61

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
SCHEMBL3372764 0.89 F10 (0.77) F10F2KLK1
SCHEMBL16161635 0.88 F10 (0.80) F10F2KLK1
SCHEMBL1382001 0.88 F10 (0.80) F10F2KLK1
SCHEMBL16161630 0.85 F10 (0.69) F10F2KLK1
SCHEMBL4607026 0.84 F10 (0.69) F10F2KLK1
SCHEMBL5036680 0.83 F10 (0.61) F10F2KLK1
SCHEMBL4607485 0.82 F10 (0.63) F10F2KLK1
SCHEMBL3371557 0.82 F10 (0.59) F10F2KLK1
SCHEMBL15911678 0.81 F10 (0.80) F10F2KLK1
SCHEMBL3369769 0.81 F10 (0.59) 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-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed