Sugi Predict

Sugi Predict / Compounds / SCHEMBL6280320

SCHEMBL6280320

SCHEMBL6280320

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(c2cccc(C(=N)N)n2)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 19/20 0.51
▸ PRSS1 P07477 8/20 0.51
▸ F2 P00734 7/20 0.51
▸ PLG P00747 4/20 0.51
▸ PROC P04070 1/20 0.51
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL6277846 0.90 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6275428 0.88 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL6282114 0.87 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL6283186 0.86 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6282865 0.85 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL6284137 0.85 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6283386 0.83 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL7115286 0.83 F10 (0.70) F10PRSS1F2PLGPROC
SCHEMBL6280036 0.82 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL6280139 0.82 F10 (0.51) 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
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