SCHEMBL6282067

SCHEMBL6282067

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2ccnc(N)n2)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.47
PRSS1 P07477 7/20 0.44
F2 P00734 6/20 0.44
PLG P00747 4/20 0.43
ROCK1 Q13464 1/20 0.42
PROC P04070 1/20 0.42

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
SCHEMBL6275428 0.89 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL6282114 0.87 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL6278912 0.85 F10 (0.47) F10PRSS1F2PLGROCK1
SCHEMBL6285035 0.85 F10 (0.47) F10PRSS1F2PLGROCK1
SCHEMBL7392277 0.85 F10 (0.47) F10PRSS1F2PLGROCK1
SCHEMBL6278788 0.84 F10 (0.46) F10PRSS1F2PLGROCK1
SCHEMBL6279424 0.84 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL7381108 0.84 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL7116039 0.82 F10 (0.67) 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 1 patent. 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