SCHEMBL8725592

SCHEMBL8725592

CC(C)(C)OC(=O)C1(OC(=O)C[C@@]2(C(=O)NCc3ccc(C(=N)N)nc3)CCCN2C(=O)CN)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.33
NAMPT P43490 4/20 0.33
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
F7 P08709 1/20 0.31
F3 P13726 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL7049735 0.71 F2 (0.40) F2NAMPTF10PLGPLAT
SCHEMBL7049734 0.70 NAMPT (0.37) F2NAMPTF10PLGPLAT
SCHEMBL8781243 0.66 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL7987916 0.65 F2 (0.39) F2NAMPTF10PLGPLAT
SCHEMBL8809674 0.65 NAMPT (0.37) F2NAMPTF10PLGPLAT
SCHEMBL6476613 0.64 F2 (0.42) F2F10PLGPLATPRSS1
SCHEMBL2150746 0.63 EPHX1 (0.31)
SCHEMBL8933156 0.63 F2 (0.35) F2F10PLGPLATPRSS1
SCHEMBL7047178 0.62 F2 (0.48) F2F10PLGPLATPRSS1
SCHEMBL7987041 0.62 NAMPT (0.37) F2NAMPTF10PLGPLAT

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-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed