SCHEMBL7414265

SCHEMBL7414265

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(C3CCCC(C(=N)N)C3)Sc3ccccc32)N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 12/20 0.34
F2 P00734 6/20 0.34
PRSS1 P07477 6/20 0.34
PLG P00747 3/20 0.33
PROC P04070 1/20 0.33
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
CACNA1S Q13698 1/20 0.31
CHRM5 P08912 1/20 0.30
ADRA2A P08913 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL7411530 0.87 F10 (0.34) F10F2PRSS1PLGPROC
SCHEMBL7412228 0.86 CACNA1S (0.33) F10HDAC3HDAC4HDAC1HDAC7
SCHEMBL7411753 0.85 F2 (0.33) F10F2PRSS1PLGPROC
SCHEMBL7411598 0.85 F10 (0.43) F10F2PRSS1PLGPROC
SCHEMBL7413490 0.84 TSHR (0.33) F10F2PRSS1PLGPROC
SCHEMBL7123912 0.82 F10 (0.50) F10F2PRSS1PLGPROC
SCHEMBL7243956 0.82 F10 (0.50) F10F2PRSS1PLGPROC
SCHEMBL7408084 0.82 F10 (0.34) F10F2PRSS1PLGPROC
SCHEMBL7413804 0.81 F10 (0.42) F10F2PRSS1PLGPROC
SCHEMBL7122168 0.79 F10 (0.50) F10F2PRSS1PLGPROC

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 disclosed
WO-1999050257-A1 BENZOXAZINONES/BENZOTHIAZINONES AS SERINE PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1999-10-07 WO disclosed