SCHEMBL7150807

SCHEMBL7150807

COc1cc([C@@H](Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.82
PRSS1 P07477 10/20 0.82
F7 P08709 10/20 0.82
F10 P00742 9/20 0.82
PRSS2 P07478 2/20 0.66
F3 P13726 2/20 0.66
PRSS3 P35030 2/20 0.66
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 1/20 0.49
MRGPRX1 Q96LB2 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7150811 1.00 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7150803 1.00 F2 (0.82) F2PRSS1F7F10PRSS2
SCHEMBL7168962 0.95 F7 (0.75) F2PRSS1F7F10PRSS2
SCHEMBL7296365 0.95 F7 (0.75) F2PRSS1F7F10PRSS2
SCHEMBL7168966 0.95 F7 (0.75) F2PRSS1F7F10PRSS2
SCHEMBL7297747 0.94 F2 (0.74) F2PRSS1F7F10PRSS2
SCHEMBL7167223 0.94 F2 (0.74) F2PRSS1F7F10PRSS2
SCHEMBL7167218 0.94 F2 (0.74) F2PRSS1F7F10PRSS2
SCHEMBL7143919 0.92 F2 (0.71) F2PRSS1F7F10PRSS2
SCHEMBL7143916 0.92 F2 (0.71) 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