SCHEMBL6281579

SCHEMBL6281579

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cccc(C(=N)N)c2)Cc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.70
PRSS1 P07477 11/20 0.70
F2 P00734 9/20 0.70
PLG P00747 6/20 0.70
PROC P04070 1/20 0.70

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
SCHEMBL6283268 1.00 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6277852 0.99 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6280167 0.93 F10 (0.65) F10PRSS1F2PLGPROC
SCHEMBL6280507 0.92 F10 (0.59) F10PRSS1F2PLGPROC
SCHEMBL6281652 0.91 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6277480 0.91 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL7353373 0.91 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL7386927 0.91 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6279890 0.91 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6277916 0.91 F10 (0.58) 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 3 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 disclosed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP disclosed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed