SCHEMBL8353597

SCHEMBL8353597

COc1ccc(-n2nc(C(=O)OS)c3c2C(=O)N(c2ccc(C(C)(C)CNC4CCCC4)cc2)CC3)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.77
F2 P00734 2/20 0.62
SLC29A1 Q99808 1/20 0.51

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
SCHEMBL8355248 0.98 F10 (0.77) F10F2SLC29A1
SCHEMBL8354694 0.97 F10 (0.82) F10F2SLC29A1
SCHEMBL5648269 0.91 F10 (0.94) F10F2SLC29A1
SCHEMBL8355139 0.90 F10 (0.69) F10F2SLC29A1
SCHEMBL8354104 0.90 F10 (0.67) F10F2SLC29A1
SCHEMBL8353980 0.89 F10 (0.68) F10F2SLC29A1
SCHEMBL5643091 0.89 F10 (0.94) F10F2SLC29A1
SCHEMBL8354697 0.88 F10 (0.80) F10F2SLC29A1
SCHEMBL5645280 0.87 F10 (1.00) F10F2SLC29A1
SCHEMBL8354756 0.86 F10 (0.67) F10F2SLC29A1

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
WO-2003099276-A1 1,1-DISUBSTITUTED CYCLOALKYL DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 WO disclosed