SCHEMBL7150990

SCHEMBL7150990

CCOc1cc([C@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.74
F2 P00734 15/20 0.74
F10 P00742 14/20 0.74
PRSS1 P07477 7/20 0.74
F3 P13726 12/20 0.59
PRSS2 P07478 2/20 0.59
PRSS3 P35030 2/20 0.59
F11 P03951 8/20 0.54
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44

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
SCHEMBL7150985 1.00 F7 (0.74) F7F2F10PRSS1F3
SCHEMBL7150980 1.00 F7 (0.74) F7F2F10PRSS1F3
SCHEMBL7142565 0.92 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7142569 0.92 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7142570 0.92 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL5037211 0.90 F7 (0.66) F7F2F10PRSS1F3
SCHEMBL5882092 0.90 F7 (0.72) F7F2F10PRSS1F3
SCHEMBL7143705 0.88 F7 (0.68) F7F2F10PRSS1F3
SCHEMBL7143704 0.88 F7 (0.68) F7F2F10PRSS1F3
SCHEMBL7143709 0.88 F7 (0.68) F7F2F10PRSS1F3

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