SCHEMBL4743952

SCHEMBL4743952

COC1(C(=O)N2CCC(NC(=O)c3ccc(-n4ccccc4=O)cc3)C(N)C2)CC1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.54
F2 P00734 2/20 0.46
F11 P03951 2/20 0.46

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
SCHEMBL4742037 0.85 F10 (0.59) F10F2F11
SCHEMBL4744598 0.83 F10 (0.61) F10F2F11
SCHEMBL4744904 0.82 F10 (0.62) F10F2F11
SCHEMBL5437993 0.82 F10 (0.53) F10F2F11
SCHEMBL5437990 0.82 F10 (0.53) F10F2F11
SCHEMBL5437984 0.82 F10 (0.53) F10F2F11
SCHEMBL5437823 0.80 F10 (0.47) F10
SCHEMBL5432304 0.79 F10 (0.47) F10
SCHEMBL4748459 0.78 F10 (0.67) F10F2F11
SCHEMBL5432420 0.78 F10 (0.60) 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