SCHEMBL4745666

SCHEMBL4745666

O=C(N[C@H]1CCCCC1CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2ccccc2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.73
F2 P00734 1/20 0.55

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
SCHEMBL5437725 1.00 F10 (0.73) F10F2
SCHEMBL14502108 1.00 F10 (0.73) F10F2
SCHEMBL4745664 1.00 F10 (0.73) F10F2
SCHEMBL5432507 0.87 F10 (0.64) F10
SCHEMBL2168307 0.87 F10 (0.64) F10
SCHEMBL14502195 0.85 F10 (1.00) F10F2
SCHEMBL14490718 0.85 F10 (1.00) F10F2
SCHEMBL14490737 0.85 F10 (0.69) F10F2
SCHEMBL14525011 0.85 F10 (0.69) F10F2
SCHEMBL14490733 0.84 F10 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603572-A4 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-06-25 EP disclosed
EP-1603572-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2005-12-14 EP disclosed
WO-2004082687-A1 LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed