SCHEMBL7143705

SCHEMBL7143705

COc1cc([C@@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.68
F2 P00734 8/20 0.68
PRSS1 P07477 7/20 0.68
F10 P00742 7/20 0.68
F3 P13726 4/20 0.54
PRSS2 P07478 2/20 0.54
PRSS3 P35030 2/20 0.54
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
F11 P03951 1/20 0.42
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
SMPD1 P17405 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
PPARA Q07869 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
SCHEMBL7143704 1.00 F7 (0.68) F7F2PRSS1F10F3
SCHEMBL7143709 1.00 F7 (0.68) F7F2PRSS1F10F3
SCHEMBL7142569 0.96 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7142570 0.96 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7142565 0.96 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7150538 0.93 F2 (0.70) F7F2PRSS1F10F3
SCHEMBL7150532 0.93 F2 (0.70) F7F2PRSS1F10F3
SCHEMBL7150525 0.93 F2 (0.70) F7F2PRSS1F10F3
SCHEMBL7150149 0.91 F7 (0.67) F7F2PRSS1F10F3
SCHEMBL7150156 0.91 F7 (0.67) 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