SCHEMBL6281369

SCHEMBL6281369

C[C@@H]1CCC[C@H](C)N1CCCCCN1C(=O)C(C2CCN(C(=N)N)N2)Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.49
PRSS1 P07477 7/20 0.49
F2 P00734 6/20 0.49
PLG P00747 4/20 0.47
PROC P04070 1/20 0.47
PARP1 P09874 1/20 0.39
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
SCHEMBL6281595 0.82 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6281383 0.79 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6275848 0.79 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL6275928 0.79 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL6280509 0.75 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6281562 0.75 F10 (0.50) F10PRSS1F2PLGPROC
SCHEMBL6275854 0.75 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL6280036 0.75 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL6280998 0.75 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL6281885 0.74 F10 (0.55) 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