SCHEMBL6277428

SCHEMBL6277428

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cc(C(=N)N)ccc2O)Cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.57
PRSS1 P07477 9/20 0.57
F2 P00734 8/20 0.57
PLG P00747 5/20 0.57
PROC P04070 1/20 0.57
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51

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
Hydrochloric Acid SCHEMBL6282855 0.99 F10 (0.56) F10PRSS1F2PLGPROC
SCHEMBL6280036 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL6283268 0.86 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6281579 0.86 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6277852 0.85 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL7122118 0.83 F10 (0.77) F10PRSS1F2PLGPROC
SCHEMBL7124512 0.83 F10 (0.77) F10PRSS1F2PLGPROC
SCHEMBL7125275 0.83 F10 (0.77) F10PRSS1F2PLGPROC
SCHEMBL7115243 0.83 F10 (0.77) F10PRSS1F2PLGPROC
SCHEMBL7466249 0.83 F10 (0.77) 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 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