SCHEMBL7150884

SCHEMBL7150884

COc1cc(OCc2ccc(C(=O)O)cc2)c(C(Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.61
PRSS1 P07477 10/20 0.61
F7 P08709 10/20 0.61
F10 P00742 9/20 0.61
PRSS2 P07478 2/20 0.50
F3 P13726 2/20 0.50
PRSS3 P35030 2/20 0.50
KDM4E B2RXH2 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
RXRA P19793 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
SMPD1 P17405 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL7143676 0.94 F2 (0.57) F2PRSS1F7F10PRSS2
SCHEMBL7147573 0.91 F2 (0.74) F2PRSS1F7F10PRSS2
Acetic Acid SCHEMBL8129058 0.89 F2 (0.72) F2PRSS1F7F10PRSS2
SCHEMBL7150630 0.89 F2 (0.55) F2PRSS1F7F10PRSS2
SCHEMBL8122404 0.87 F2 (0.54) F2PRSS1F7F10PRSS2
SCHEMBL8122456 0.87 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7142597 0.87 F2 (0.57) F2PRSS1F7F10PRSS2
SCHEMBL7144612 0.86 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7144607 0.86 F2 (0.61) F2PRSS1F7F10PRSS2
SCHEMBL7143873 0.85 F2 (0.60) 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