SCHEMBL7146545

SCHEMBL7146545

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)c(NS(C)(=O)=O)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.57
PRSS1 P07477 9/20 0.57
F7 P08709 9/20 0.57
F10 P00742 8/20 0.51
ESRRA P11474 2/20 0.44
PTPN1 P18031 2/20 0.44
CYP19A1 P11511 1/20 0.43
ADRB3 P13945 1/20 0.41
PRSS2 P07478 1/20 0.41
F3 P13726 1/20 0.41
PRSS3 P35030 1/20 0.41
AR P10275 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7140893 0.92 F2 (0.59) F2PRSS1F7F10CYP19A1
SCHEMBL5882326 0.91 F2 (0.49) F2PRSS1F7F10ESRRA
SCHEMBL7146126 0.87 F2 (0.57) F2PRSS1F7F10CYP19A1
SCHEMBL7146130 0.87 F2 (0.57) F2PRSS1F7F10CYP19A1
SCHEMBL7143883 0.87 F2 (0.55) F2PRSS1F7F10CYP19A1
SCHEMBL7147539 0.87 F2 (0.52) F2PRSS1F7F10CYP19A1
SCHEMBL7147547 0.87 F2 (0.52) F2PRSS1F7F10CYP19A1
SCHEMBL7144188 0.86 F7 (0.58) F2PRSS1F7F10CYP19A1
SCHEMBL8128134 0.86 F2 (0.52) F2PRSS1F7F10CYP19A1
SCHEMBL7145102 0.86 F2 (0.63) F2PRSS1F7F10ESRRA

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