SCHEMBL7409202

SCHEMBL7409202

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(c3cccc(C(=N)N)c3)Sc3ccc(OCc4nn[nH]n4)cc32)N1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.37
PRSS1 P07477 10/20 0.37
F2 P00734 9/20 0.37
PLG P00747 5/20 0.37
PROC P04070 1/20 0.37
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL7418769 0.90 F10 (0.41) F10PRSS1F2PLGPROC
SCHEMBL7414622 0.88 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL7121142 0.86 F10 (0.52) F10PRSS1F2PLGPROC
SCHEMBL7410658 0.85 F10 (0.43) F10PRSS1F2PLGPROC
SCHEMBL7403848 0.85 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7408558 0.84 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7408430 0.84 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7415726 0.84 F10 (0.42) F10PRSS1F2PLGPROC
SCHEMBL7408226 0.84 F10 (0.47) F10PRSS1F2PLGPROC
SCHEMBL7412683 0.83 F10 (0.43) 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 2 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