SCHEMBL6281885

SCHEMBL6281885

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2ccc(C(=N)N)o2)Cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.55
PRSS1 P07477 8/20 0.55
F2 P00734 7/20 0.55
PLG P00747 4/20 0.53
PROC P04070 1/20 0.53
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
PARP1 P09874 1/20 0.38

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
SCHEMBL6285012 0.87 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL6280049 0.85 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL6283261 0.85 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL7123099 0.84 F10 (0.72) F10PRSS1F2PLGPROC
SCHEMBL6280036 0.84 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7112916 0.82 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL6275783 0.82 F10 (0.53) F10PRSS1F2PLGPROC
SCHEMBL6283268 0.81 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6281579 0.81 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6280320 0.81 F10 (0.51) 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 4 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
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP claimed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed