SCHEMBL3404978

SCHEMBL3404978

CC(C)N1CCC(NC(=O)c2nc3c(C(=O)NCCO)c(F)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.68
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
SCHEMBL1381517 0.92 F10 (0.71) F10F2KLK1
SCHEMBL3367579 0.89 F10 (0.62) F10F2KLK1
SCHEMBL1381214 0.88 F10 (0.74) F10F2KLK1
SCHEMBL1377914 0.87 F10 (0.70) F10F2KLK1
SCHEMBL3367412 0.86 F10 (0.69) F10F2KLK1
SCHEMBL1379493 0.82 F10 (0.78) F10F2KLK1
SCHEMBL1377881 0.82 F10 (0.65) F10F2KLK1
SCHEMBL1378596 0.81 F10 (0.74) F10F2KLK1
SCHEMBL1378264 0.81 F10 (0.76) F10F2KLK1
SCHEMBL1382240 0.81 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 disclosed