SCHEMBL7150796

SCHEMBL7150796

COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)N(CC(=O)O)Cc2ccccc2)c(NC(C)=O)cc1OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.55
F7 P08709 12/20 0.55
PRSS1 P07477 11/20 0.55
F10 P00742 10/20 0.55
PRSS2 P07478 2/20 0.55
F3 P13726 2/20 0.55
PRSS3 P35030 2/20 0.55
MRGPRX1 Q96LB2 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 4/20 0.42
BRD4 O60885 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
SCHEMBL5882867 0.87 F7 (0.69) F2F7PRSS1F10PRSS2
SCHEMBL7140792 0.84 F7 (0.73) F2F7PRSS1F10PRSS2
SCHEMBL7140785 0.84 F7 (0.73) F2F7PRSS1F10PRSS2
SCHEMBL7147875 0.83 F2 (0.56) F2F7PRSS1F10PRSS2
Acetic Acid SCHEMBL8114466 0.83 F7 (0.72) F2F7PRSS1F10PRSS2
SCHEMBL7146024 0.82 F7 (0.76) F2F7PRSS1F10PRSS2
SCHEMBL8126867 0.82 F7 (0.76) F2F7PRSS1F10PRSS2
Acetic Acid SCHEMBL8120262 0.81 F7 (0.75) F2F7PRSS1F10PRSS2
Acetic Acid SCHEMBL8113630 0.81 F7 (0.75) F2F7PRSS1F10PRSS2
SCHEMBL8113634 0.80 F7 (0.66) F2F7PRSS1F10PRSS2

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