SCHEMBL7148518

SCHEMBL7148518

COc1cc([C@@H](Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 8/20 0.61
F2 P00734 7/20 0.61
PRSS1 P07477 7/20 0.61
F10 P00742 6/20 0.61
F3 P13726 3/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL7148516 1.00 F7 (0.61) F7F2PRSS1F10F3
SCHEMBL7148524 1.00 F7 (0.61) F7F2PRSS1F10F3
SCHEMBL8119907 0.94 F7 (0.57) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8122029 0.89 F7 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL7144590 0.89 F7 (0.74) F7F2PRSS1F10F3
Hydrochloric Acid SCHEMBL8122042 0.89 F7 (0.74) F7F2PRSS1F10F3
SCHEMBL7148395 0.88 F7 (0.56) F7F2PRSS1F10F3
SCHEMBL7148405 0.88 F7 (0.56) F7F2PRSS1F10F3
SCHEMBL7148384 0.88 F7 (0.56) F7F2PRSS1F10F3
SCHEMBL7150807 0.86 F2 (0.82) F7F2PRSS1F10F3

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