SCHEMBL6280049

SCHEMBL6280049

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(Cc2ccc(C(=N)N)o2)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.53
PRSS1 P07477 8/20 0.53
F2 P00734 7/20 0.53
PLG P00747 4/20 0.51
PROC P04070 1/20 0.51
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
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
SCHEMBL6281026 0.86 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL6281885 0.85 F10 (0.55) F10PRSS1F2PLGPROC
SCHEMBL7393675 0.84 F10 (0.54) F10PRSS1F2PLGPROC
SCHEMBL7114584 0.84 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL6275986 0.83 F10 (0.61) F10PRSS1F2PLGPROC
SCHEMBL7119675 0.82 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL6284137 0.81 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6279410 0.80 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL6275757 0.80 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL6285012 0.80 F10 (0.53) 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
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