SCHEMBL6281674

SCHEMBL6281674

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(Cc2cccc(CN)c2)Cc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.61
PRSS1 P07477 7/20 0.61
PLG P00747 4/20 0.61
F2 P00734 6/20 0.46
PROC P04070 1/20 0.46
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
SCHEMBL6285096 0.91 F10 (0.52) F10PRSS1PLGF2PROC
SCHEMBL6275986 0.87 F10 (0.61) F10PRSS1PLGF2PROC
SCHEMBL7395980 0.85 F10 (0.69) F10PRSS1PLGF2PROC
SCHEMBL6284413 0.85 F10 (0.69) F10PRSS1PLGF2PROC
SCHEMBL7119739 0.83 F10 (0.60) F10PRSS1PLGF2PROC
SCHEMBL7116559 0.81 F10 (0.74) F10PRSS1PLGF2PROC
SCHEMBL6275981 0.79 F10 (0.46) F10PRSS1PLGF2PROC
SCHEMBL6283600 0.78 F10 (0.46) F10PRSS1PLGF2PROC
SCHEMBL6280049 0.78 F10 (0.53) F10PRSS1PLGF2PROC
SCHEMBL6278788 0.78 F10 (0.46) F10PRSS1PLGF2PROC

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed
EP-1091955-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-04-18 EP disclosed
WO-1999050263-A1 QUINOLONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed