SCHEMBL7047178

SCHEMBL7047178

N=C(N)c1ccc(CNC(=O)[C@]2(C3CCCCC3)CCCN2C(=O)CNCC(=O)O)cn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.48
F10 P00742 2/20 0.45
PLG P00747 1/20 0.45
PLAT P00750 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
F7 P08709 2/20 0.37
F3 P13726 1/20 0.37
PROC P04070 3/20 0.36
HSD11B1 P28845 1/20 0.33

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 0.88 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL7991189 0.88 F2 (0.44) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL6485317 0.83 ITGB3 (0.38) F2F10PLGPLATPRSS1
Hydrochloric Acid SCHEMBL8721658 0.83 F2 (0.40) F2F10PLGPLATPRSS1
SCHEMBL6487745 0.80 ITGB3 (0.36) F2F10PLGPLATPRSS1
SCHEMBL6475692 0.79 ITGB3 (0.36) F2F10PLGPLATPRSS1
SCHEMBL6477095 0.79 F2 (0.38) F2F10F7PROC
SCHEMBL6475562 0.79 F2 (0.38) F2F10F7PROC
SCHEMBL6484519 0.78 ITGB3 (0.36) F2F10PLGPLATPRSS1
SCHEMBL6485408 0.77 ITGB3 (0.34) F2F10PLGPLATPRSS1

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-0773955-B1 NEW THROMBIN INHIBITORS, THEIR PREPARATION AND USE BASF AG (DE) 2003-04-16 EP disclosed