SCHEMBL7142665

SCHEMBL7142665

COc1cc([C@@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.56
F2 P00734 6/20 0.56
F10 P00742 6/20 0.56
PRSS1 P07477 5/20 0.56
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
HIF1A Q16665 1/20 0.45
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
ACHE P22303 1/20 0.44
F3 P13726 3/20 0.43
F11 P03951 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
PRSS2 P07478 1/20 0.43

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
SCHEMBL7142658 1.00 F7 (0.56) F7F2F10PRSS1SLC1A3
SCHEMBL7142671 1.00 F7 (0.56) F7F2F10PRSS1SLC1A3
SCHEMBL7147565 0.88 F7 (0.54) F7F2F10PRSS1SLC1A3
SCHEMBL7147574 0.88 F7 (0.54) F7F2F10PRSS1SLC1A3
SCHEMBL7147569 0.88 F7 (0.54) F7F2F10PRSS1SLC1A3
SCHEMBL7142565 0.88 F7 (0.73) F7F2F10PRSS1SLC1A3
SCHEMBL7142569 0.88 F7 (0.73) F7F2F10PRSS1SLC1A3
SCHEMBL7142570 0.88 F7 (0.73) F7F2F10PRSS1SLC1A3
SCHEMBL7147647 0.87 F7 (0.62) F7F2F10PRSS1SLC1A3
SCHEMBL7147651 0.87 F7 (0.62) F7F2F10PRSS1SLC1A3

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