SCHEMBL7144765

SCHEMBL7144765

COc1cc([C@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1OCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.63
F2 P00734 8/20 0.63
PRSS1 P07477 7/20 0.63
F10 P00742 7/20 0.63
F3 P13726 4/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
HIF1A Q16665 1/20 0.42
FFAR1 O14842 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MCHR1 Q99705 1/20 0.41
F11 P03951 1/20 0.41

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
SCHEMBL7144763 1.00 F7 (0.63) F7F2PRSS1F10F3
SCHEMBL7144761 1.00 F7 (0.63) F7F2PRSS1F10F3
SCHEMBL7142895 0.95 F7 (0.65) F7F2PRSS1F10F3
SCHEMBL7142900 0.95 F7 (0.65) F7F2PRSS1F10F3
SCHEMBL7142897 0.95 F7 (0.65) F7F2PRSS1F10F3
SCHEMBL7142570 0.92 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7142565 0.92 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7142569 0.92 F7 (0.73) F7F2PRSS1F10F3
SCHEMBL7144924 0.90 F7 (0.64) F7F2PRSS1F10F3
SCHEMBL7144929 0.90 F7 (0.64) 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