SCHEMBL7147875

SCHEMBL7147875

COc1cc(CC(=O)Nc2ccccc2C(Nc2ccc(C(=N)N)cc2)C(=O)N(CC(=O)O)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.56
PRSS1 P07477 11/20 0.56
F7 P08709 11/20 0.56
F10 P00742 10/20 0.56
PRSS2 P07478 2/20 0.56
F3 P13726 2/20 0.56
PRSS3 P35030 2/20 0.56
MRGPRX1 Q96LB2 4/20 0.50
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL7149296 0.96 BCHE (0.50) F2PRSS1F7F10PRSS2
SCHEMBL5882979 0.88 F2 (0.69) F2PRSS1F7F10PRSS2
SCHEMBL7140881 0.85 F2 (0.71) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8127351 0.84 F2 (0.69) F2PRSS1F7F10PRSS2
SCHEMBL7150796 0.83 F2 (0.55) F2PRSS1F7F10PRSS2
SCHEMBL7148250 0.83 F2 (0.73) F2PRSS1F7F10PRSS2
SCHEMBL7169846 0.83 F2 (0.73) F2PRSS1F7F10PRSS2
SCHEMBL5882108 0.80 F2 (0.56) F2PRSS1F7F10PRSS2
SCHEMBL7142032 0.80 F2 (0.62) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8127584 0.79 F2 (0.61) F2PRSS1F7F10PRSS2

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-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed