SCHEMBL6818264

SCHEMBL6818264

CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(CN=NO)cc1)C1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.77
PLAT P00750 1/20 0.48
PRSS1 P07477 1/20 0.48
F10 P00742 3/20 0.42
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.36
F12 P00748 3/20 0.36
FKBP5 Q13451 1/20 0.35
EPHX2 P34913 1/20 0.35

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
Ximelagatran SCHEMBL15908919 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL4845 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL19065093 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL14509860 0.87 F2 (1.00) F2PLATPRSS1F10ALDH1A1
SCHEMBL7217026 0.86 F2 (0.76) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL8039753 0.85 F2 (0.76) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL14542684 0.85 F2 (0.76) F2PLATPRSS1F10ALDH1A1
SCHEMBL8083322 0.84 F2 (0.78) F2PLATPRSS1F10ALDH1A1
Ximelagatran SCHEMBL7222774 0.81 F2 (0.88) F2PLATPRSS1F10ALDH1A1
SCHEMBL7222186 0.81 F2 (0.72) F2PLATPRSS1F10PKM

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
EP-1109526-B1 IMPROVED STABILITY FOR INJECTION SOLUTIONS ASTRAZENECA AB (SE) 2004-03-31 EP claimed