SCHEMBL7147569

SCHEMBL7147569

COc1cc([C@@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.54
F2 P00734 5/20 0.54
PRSS1 P07477 4/20 0.54
F10 P00742 4/20 0.54
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
HIF1A Q16665 2/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1B Q00975 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
MCL1 Q07820 1/20 0.43
F3 P13726 3/20 0.42
SCN5A Q14524 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
SCHEMBL7147574 1.00 F7 (0.54) F7F2PRSS1F10SLC1A3
SCHEMBL7147565 1.00 F7 (0.54) F7F2PRSS1F10SLC1A3
SCHEMBL8122647 0.93 F7 (0.50) F7F2PRSS1F10SLC1A3
SCHEMBL7142658 0.88 F7 (0.56) F7F2PRSS1F10SLC1A3
SCHEMBL7142671 0.88 F7 (0.56) F7F2PRSS1F10SLC1A3
SCHEMBL7142665 0.88 F7 (0.56) F7F2PRSS1F10SLC1A3
SCHEMBL7152027 0.88 F7 (0.49) F7F2PRSS1F10SLC1A3
SCHEMBL7152030 0.88 F7 (0.49) F7F2PRSS1F10SLC1A3
SCHEMBL7152023 0.88 F7 (0.49) F7F2PRSS1F10SLC1A3
SCHEMBL7142570 0.86 F7 (0.73) F7F2PRSS1F10SLC1A3

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