SCHEMBL7411273

SCHEMBL7411273

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(c3cncc(C(=N)N)n3)Sc3ccccc32)N1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.33
F2 P00734 5/20 0.33
PRSS1 P07477 5/20 0.33
PLG P00747 3/20 0.32
PROC P04070 1/20 0.32

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
SCHEMBL7414004 0.91 F10 (0.34) F10F2PRSS1PLGPROC
SCHEMBL7414989 0.85 F10 (0.46) F10F2PRSS1PLGPROC
SCHEMBL7412407 0.83 F10 (0.35) F10F2PRSS1PLGPROC
SCHEMBL7414194 0.83 CACNA1S (0.31) F10PRSS1PLG
SCHEMBL7126537 0.83 F10 (0.49) F10F2PRSS1PLGPROC
SCHEMBL7414537 0.82 CACNA1S (0.31)
SCHEMBL7408430 0.82 F10 (0.48) F10F2PRSS1PLGPROC
SCHEMBL7408558 0.82 F10 (0.48) F10F2PRSS1PLGPROC
SCHEMBL7412543 0.82 F10 (0.36) F10F2PRSS1PLGPROC
SCHEMBL7408226 0.81 F10 (0.47) F10F2PRSS1PLGPROC

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-0991753-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2001-07-11 EP claimed
EP-0991753-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-04-12 EP claimed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO claimed