SCHEMBL7408558

SCHEMBL7408558

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(c3cccc(C(=N)N)c3)Sc3ccccc32)N1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.48
PRSS1 P07477 11/20 0.48
F2 P00734 9/20 0.48
PLG P00747 6/20 0.48
PROC P04070 1/20 0.48
GSK3B P49841 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL7408430 1.00 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7408226 0.99 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL7411701 0.92 F10 (0.40) F10PRSS1F2PLGPROC
SCHEMBL7410658 0.92 F10 (0.43) F10PRSS1F2PLGPROC
SCHEMBL7403848 0.91 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7407496 0.91 F10 (0.39) F10PRSS1F2PLGPROC
SCHEMBL7415726 0.91 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7406542 0.90 F10 (0.41) F10PRSS1F2PLGPROC
SCHEMBL7412683 0.90 F10 (0.43) F10PRSS1F2PLGPROC
SCHEMBL7404483 0.90 F10 (0.41) 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
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP claimed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO claimed
EP-1068191-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-01-17 EP disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed