SCHEMBL6281670

SCHEMBL6281670

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cnc(N)[nH]2)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

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
PROC P04070 1/20 0.42
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL6283410 0.87 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6275878 0.85 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL7356963 0.83 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6277890 0.83 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6279097 0.80 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL7392277 0.80 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL6282067 0.80 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL6279424 0.80 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL6278912 0.80 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL7381108 0.80 F10 (0.49) 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