SCHEMBL7148587

SCHEMBL7148587

COc1cccc(COc2ccc([C@@H](Nc3ccc(C(=N)N)cc3)C(=O)NCc3ccccc3)cc2OC)c1

nearest known ligand 0.87

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.87
F2 P00734 13/20 0.87
PRSS1 P07477 11/20 0.87
F10 P00742 10/20 0.87
F3 P13726 3/20 0.71
PRSS2 P07478 2/20 0.71
PRSS3 P35030 2/20 0.71
MRGPRX1 Q96LB2 3/20 0.53

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
SCHEMBL7148581 1.00 F7 (0.87) F7F2PRSS1F10F3
SCHEMBL7148593 1.00 F7 (0.87) F7F2PRSS1F10F3
SCHEMBL7146083 0.95 F7 (0.85) F7F2PRSS1F10F3
SCHEMBL7146100 0.95 F7 (0.85) F7F2PRSS1F10F3
SCHEMBL7146092 0.95 F7 (0.85) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8122098 0.94 F7 (0.82) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8122100 0.94 F7 (0.82) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8122981 0.93 F7 (0.98) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7144104 0.93 F7 (0.98) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8122977 0.93 F7 (0.98) F7F2PRSS1F10F3

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