SCHEMBL8256751

SCHEMBL8256751

CC(C)S(C(C)C)(C(C)C)n1cc(Cl)c2ccc(S(=O)(=O)N[C@H]3CCN(c4ccc5c(c4)CCN(C(=O)OC(C)(C)C)C5)C3=O)cc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.45
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.36

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
SCHEMBL4161705 0.89 F10 (0.44) F10ESR2NR1H2
SCHEMBL8257648 0.87 F10 (0.43) F10ESR2NR1H2
SCHEMBL4170302 0.86 F10 (0.44) F10ESR2NR1H2
SCHEMBL4929296 0.85 F10 (0.45) F10
SCHEMBL4170624 0.83 F10 (0.66) F10ESR2
SCHEMBL4172923 0.82 F10 (0.63) F10
SCHEMBL4176222 0.82 F10 (0.63) F10
SCHEMBL4183584 0.80 F10 (0.43) F10ESR2NR1H2
SCHEMBL4176488 0.80 F10 (0.39) F10ESR2NR1H2
SCHEMBL4926935 0.79 F10 (0.67) F10

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-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed