SCHEMBL8360801

SCHEMBL8360801

CCCCOC(=O)c1cc(N)cc(-c2cnc(NC3CC3)c(=O)n2CC(=O)NCc2ccc(/C(N)=N/O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.51
F3 P13726 9/20 0.46
F2 P00734 7/20 0.46
PRSS1 P07477 2/20 0.42
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40

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
SCHEMBL8363693 0.93 F7 (0.53) F7F3F2PRSS1PRSS2
SCHEMBL8363446 0.90 F7 (0.48) F7F3F2PRSS1PRSS2
SCHEMBL8360800 0.90 F7 (0.48) F7F3F2PRSS1PRSS2
SCHEMBL8363343 0.89 F7 (0.65) F7F3F2PRSS1
SCHEMBL6793537 0.89 F7 (0.52) F7F3F2PRSS1PRSS2
SCHEMBL8360796 0.89 F7 (0.52) F7F3F2PRSS1PRSS2
SCHEMBL6793541 0.89 F7 (0.52) F7F3F2PRSS1PRSS2
SCHEMBL8363165 0.88 F7 (0.63) F7F3F2PRSS1PRSS2
SCHEMBL8360900 0.85 F7 (0.56) F7F3F2PRSS1PRSS2
SCHEMBL6791169 0.85 F7 (0.64) F7F3F2PRSS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed