SCHEMBL4854747

SCHEMBL4854747

COCCN(C)C(=O)N1CCC(N)C(NC(=O)c2ccc(-n3ccccc3=O)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.53
F2 P00734 2/20 0.47
F11 P03951 2/20 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
SCHEMBL4686841 0.88 F10 (0.65) F10F2F11
SCHEMBL5432760 0.83 F10 (0.61) F10F2F11
SCHEMBL5429158 0.82 F10 (0.62) F10F2F11
SCHEMBL4744598 0.82 F10 (0.61) F10F2F11
SCHEMBL4746936 0.81 F10 (0.69) F10F2F11
SCHEMBL4744690 0.81 F10 (0.55) F10F2F11
SCHEMBL5439386 0.81 F10 (0.62) F10F2F11
SCHEMBL5438654 0.81 F10 (0.65) F10F2F11
SCHEMBL5438656 0.81 F10 (0.65) F10F2F11
SCHEMBL4741955 0.81 F10 (0.65) F10F2F11

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