SCHEMBL7146173

SCHEMBL7146173

COc1cc([C@@H](Nc2ccc(C#N)cc2)C(=O)Nc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.59
F10 P00742 6/20 0.59
PRSS1 P07477 6/20 0.59
F7 P08709 6/20 0.59
PRSS2 P07478 2/20 0.59
F3 P13726 2/20 0.59
PRSS3 P35030 2/20 0.59
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MCL1 Q07820 1/20 0.47
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
L3MBTL1 Q9Y468 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
SCHEMBL7146169 1.00 F2 (0.59) F2F10PRSS1F7PRSS2
SCHEMBL7146174 1.00 F2 (0.59) F2F10PRSS1F7PRSS2
SCHEMBL7145228 0.99 F2 (0.60) F2F10PRSS1F7PRSS2
SCHEMBL7145237 0.99 F2 (0.60) F2F10PRSS1F7PRSS2
SCHEMBL7145233 0.99 F2 (0.60) F2F10PRSS1F7PRSS2
SCHEMBL7149301 0.95 F2 (0.61) F2F10PRSS1F7PRSS2
SCHEMBL7147609 0.92 F2 (0.56) F2F10PRSS1F7PRSS2
SCHEMBL5883867 0.91 F2 (0.71) F2F10PRSS1F7PRSS2
SCHEMBL8126926 0.91 F2 (0.71) F2F10PRSS1F7PRSS2
SCHEMBL8122582 0.91 F2 (0.71) F2F10PRSS1F7PRSS2

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