SCHEMBL12095939

SCHEMBL12095939

COc1c(N2CCCCC2=O)cccc1S(=O)(=O)N[C@@H](CN)C(=O)N1CCN(CC(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.44
F10 P00742 7/20 0.44
F9 P00740 2/20 0.43
PLG P00747 2/20 0.43
PLAT P00750 2/20 0.43
KLKB1 P03952 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43

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
SCHEMBL1770859 0.90 F2 (0.47) F2F10F9PLGPLAT
SCHEMBL12095938 0.90 F2 (0.40) F2F10F9PLGPLAT
SCHEMBL12095841 0.89 F2 (0.54) F2F10F9PLGPLAT
SCHEMBL12095720 0.87 F2 (0.46) F2F10F9PLGPLAT
SCHEMBL12095933 0.87 F2 (0.55) F2F10F9PLGPLAT
SCHEMBL12096456 0.87 F2 (0.46) F2F10F9PLGPLAT
SCHEMBL12096173 0.86 F10 (0.47) F2F10F9PLGPLAT
SCHEMBL12095712 0.86 F10 (0.49) F2F10F9PLGPLAT
SCHEMBL12095911 0.86 F2 (0.56) F2F10F9PLGPLAT
SCHEMBL12095718 0.85 F2 (0.48) F2F10F9PLGPLAT

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-2254881-B1 CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN SANOFI SA (FR) 2012-09-12 EP disclosed