SCHEMBL3372972

SCHEMBL3372972

O=C(O)Oc1scc2c1nc(C(=O)NC1CCN(C3CC3)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.68
F2 P00734 4/20 0.62
KLK1 P06870 1/20 0.55

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
SCHEMBL3371333 0.92 F10 (0.73) F10F2KLK1
SCHEMBL1383080 0.89 F10 (0.73) F10F2KLK1
SCHEMBL3371122 0.88 F10 (0.67) F10F2KLK1
SCHEMBL3372892 0.87 F10 (0.68) F10F2KLK1
SCHEMBL3368882 0.85 F10 (0.73) F10F2KLK1
SCHEMBL3371347 0.85 F10 (0.80) F10F2KLK1
SCHEMBL1382094 0.84 F10 (0.76) F10F2KLK1
SCHEMBL1377775 0.83 F10 (0.73) F10F2KLK1
SCHEMBL1378596 0.83 F10 (0.74) F10F2KLK1
SCHEMBL3370258 0.82 F10 (0.71) 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