SCHEMBL8302614

SCHEMBL8302614

N/C(=N\O)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C2CCCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.79
F10 P00742 1/20 0.46
PROC P04070 1/20 0.46
F7 P08709 1/20 0.46
PLAT P00750 1/20 0.43
PRSS1 P07477 1/20 0.43
MASP2 O00187 1/20 0.40

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
Melagatran SCHEMBL23840802 0.89 F2 (0.64) F2F10PROCF7MASP2
Melagatran SCHEMBL27652 0.89 F2 (0.64) F2F10PROCF7MASP2
SCHEMBL14509424 0.89 F2 (0.64) F2F10PROCF7PLAT
Melagatran SCHEMBL8083301 0.89 F2 (0.64) F2F10PROCF7MASP2
Melagatran SCHEMBL20567754 0.89 F2 (0.64) F2F10PROCF7MASP2
Melagatran SCHEMBL5706395 0.89 F2 (0.63) F2F10PROCF7MASP2
Melagatran SCHEMBL3209070 0.89 F2 (0.63) F2F10PROCF7MASP2
Melagatran SCHEMBL29160734 0.89 F2 (0.63) F2F10PROCF7MASP2
Melagatran SCHEMBL27557537 0.89 F2 (0.63) F2F10PROCF7MASP2
Ximelagatran SCHEMBL14509860 0.88 F2 (1.00) F2F10PLATPRSS1MASP2

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-2004113364-A1 NEW PROCESS FOR THE PRODUCTION OF MELAGATRAN ASTRAZENECA AB (SE) 2004-12-29 WO disclosed