SCHEMBL7411753

SCHEMBL7411753

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(C3CCN(C(=N)N)C3)Sc3ccccc32)N1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.33
F10 P00742 3/20 0.33
PRSS1 P07477 3/20 0.33
GSK3B P49841 16/20 0.33
CACNA1S Q13698 1/20 0.33
PLG P00747 2/20 0.32
PROC P04070 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
SCHEMBL7413979 0.87 TSHR (0.33) F2F10PRSS1GSK3B
SCHEMBL7414265 0.85 F10 (0.34) F2F10PRSS1CACNA1SPLG
SCHEMBL7413647 0.85 F10 (0.42) F2F10PRSS1PLGPROC
SCHEMBL7408084 0.84 F10 (0.34) F2F10PRSS1CACNA1SPLG
SCHEMBL7412228 0.83 CACNA1S (0.33) F10CACNA1S
SCHEMBL7115736 0.82 F10 (0.49) F2F10PRSS1CACNA1SPLG
SCHEMBL7412407 0.79 F10 (0.35) F2F10PRSS1GSK3BCACNA1S
SCHEMBL7414236 0.79 F10 (0.40) F2F10PRSS1PLGPROC
SCHEMBL6280043 0.79 HDAC6 (0.36) F2F10PRSS1PLGPROC
SCHEMBL7413490 0.79 TSHR (0.33) F2F10PRSS1PLGPROC

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