SCHEMBL3369797

SCHEMBL3369797

COC(=O)Oc1ccc2nc(C(=O)NC3CCN(C(C)C)CC3)n(Cc3cnc(-c4ccc(Cl)s4)s3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.64
F2 P00734 1/20 0.47
KLK1 P06870 1/20 0.47

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
SCHEMBL3367396 0.94 F10 (0.64) F10F2KLK1
SCHEMBL3374386 0.94 F10 (0.64) F10F2KLK1
SCHEMBL1380995 0.90 F10 (0.65) F10F2KLK1
SCHEMBL3371259 0.89 F10 (0.64) F10F2KLK1
SCHEMBL3373199 0.88 F10 (0.67) F10F2KLK1
SCHEMBL3372966 0.87 F10 (0.78) F10F2KLK1
SCHEMBL3368844 0.85 F10 (0.65) F10F2KLK1
SCHEMBL1378415 0.84 F10 (0.67) F10F2KLK1
SCHEMBL3369825 0.81 F10 (0.78) F10F2KLK1
SCHEMBL3368982 0.81 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-1636216-B1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-07-21 EP claimed