SCHEMBL6275985

SCHEMBL6275985

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(Cc3cccc(C(=N)N)c3)Cc3ccccc32)N1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.42
PRSS1 P07477 13/20 0.42
F2 P00734 9/20 0.42
PLG P00747 6/20 0.42
PROC P04070 1/20 0.42
HDAC6 Q9UBN7 3/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HPN P05981 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33

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
SCHEMBL7407792 0.85 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL6283322 0.83 HDAC6 (0.34) F10PRSS1F2PLGPROC
SCHEMBL6275986 0.83 F10 (0.61) F10PRSS1F2PLGPROC
SCHEMBL6280043 0.80 HDAC6 (0.36) F10PRSS1F2PLGPROC
SCHEMBL7515067 0.80 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7410111 0.80 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7411495 0.80 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL6281650 0.79 F10 (0.43) F10PRSS1F2PLGPROC
SCHEMBL7408430 0.79 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7408558 0.79 F10 (0.48) 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 claimed