SCHEMBL7143676

SCHEMBL7143676

COc1cc(OCc2cccc(C(=O)O)c2)c(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.57
PRSS1 P07477 9/20 0.57
F7 P08709 9/20 0.57
F10 P00742 8/20 0.57
MRGPRX4 Q96LA9 8/20 0.48
PRSS2 P07478 2/20 0.47
F3 P13726 2/20 0.47
PRSS3 P35030 2/20 0.47
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL7150884 0.94 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7143415 0.91 F2 (0.70) F2PRSS1F7F10MRGPRX4
Acetic Acid SCHEMBL8128031 0.90 F2 (0.68) F2PRSS1F7F10MRGPRX4
SCHEMBL5882826 0.89 MRGPRX4 (0.49) F2PRSS1F7F10MRGPRX4
SCHEMBL7150630 0.88 F2 (0.55) F2PRSS1F7F10PRSS2
SCHEMBL7145663 0.86 F2 (0.52) F2PRSS1F7F10MRGPRX4
SCHEMBL8122404 0.86 F2 (0.54) F2PRSS1F7F10PRSS2
SCHEMBL7147573 0.84 F2 (0.74) F2PRSS1F7F10PRSS2
SCHEMBL7143873 0.84 F2 (0.60) F2PRSS1F7F10PRSS2
SCHEMBL8122456 0.84 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 3 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
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed