SCHEMBL7145013

SCHEMBL7145013

COc1cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)Nc2ccc(C(=N)N)cc2)ccc1OCc1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 14/20 0.84
F2 P00734 12/20 0.84
PRSS1 P07477 11/20 0.84
F10 P00742 10/20 0.84
F3 P13726 3/20 0.84
PRSS2 P07478 2/20 0.84
PRSS3 P35030 2/20 0.84
MRGPRX1 Q96LB2 3/20 0.60
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49

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
SCHEMBL7145038 1.00 F7 (0.84) F7F2PRSS1F10F3
SCHEMBL7144991 1.00 F7 (0.84) F7F2PRSS1F10F3
SCHEMBL7144665 0.99 F7 (0.83) F7F2PRSS1F10F3
SCHEMBL7144669 0.99 F7 (0.83) F7F2PRSS1F10F3
SCHEMBL7144661 0.99 F7 (0.83) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8126615 0.98 F7 (0.81) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8126621 0.98 F7 (0.81) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8121809 0.97 F7 (0.80) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8121806 0.97 F7 (0.80) F7F2PRSS1F10F3
SCHEMBL7148034 0.97 F7 (0.80) 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