SCHEMBL7530822

SCHEMBL7530822

C[C@H]1CCC[C@@](C)(CCCCCN2C(=O)C(c3ccnc(C(=N)N)c3)Oc3ccccc32)N1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.52
PRSS1 P07477 11/20 0.52
F2 P00734 9/20 0.52
PLG P00747 6/20 0.52
PROC P04070 1/20 0.52

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
SCHEMBL7515067 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7411495 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7410111 0.87 F10 (0.69) F10PRSS1F2PLGPROC
SCHEMBL7407161 0.85 F10 (0.48) F10PRSS1F2PLGPROC
SCHEMBL7414989 0.84 F10 (0.46) F10PRSS1F2PLGPROC
SCHEMBL7413461 0.84 F10 (0.49) F10PRSS1F2PLGPROC
SCHEMBL7412153 0.83 F10 (0.51) F10PRSS1F2PLGPROC
SCHEMBL7410237 0.83 F10 (0.40) F10PRSS1F2PLGPROC
SCHEMBL7409941 0.83 F10 (0.57) F10PRSS1F2PLGPROC
SCHEMBL7121527 0.82 F10 (0.75) 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