SCHEMBL6284916

SCHEMBL6284916

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cccc(C(=N)N)c2)Cc2ccc(C#N)cc21

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.59
PRSS1 P07477 12/20 0.59
F2 P00734 10/20 0.59
PLG P00747 6/20 0.59
PROC P04070 1/20 0.59
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL6280167 0.91 F10 (0.65) F10PRSS1F2PLGPROC
SCHEMBL6281652 0.89 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL7353373 0.89 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6285509 0.89 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6279890 0.89 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL7386927 0.89 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6277480 0.89 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6275943 0.88 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6285545 0.88 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6285074 0.88 F10 (0.62) F10PRSS1F2PLGPROC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US claimed
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed