SCHEMBL7146079

SCHEMBL7146079

C=CCOc1ccc(OC)cc1C(Nc1ccc(C#N)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.43
F2 P00734 4/20 0.43
PRSS1 P07477 4/20 0.43
F10 P00742 3/20 0.43
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
SGMS2 Q8NHU3 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SNCA P37840 1/20 0.37
TP53 P04637 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL7146093 1.00 F7 (0.43) F7F2PRSS1F10ALDH1A1
SCHEMBL7150831 0.89 AKR1B1 (0.46) F7F2PRSS1F10ALDH1A1
SCHEMBL7147095 0.86 F7 (0.60) F7F2PRSS1F10SLC1A3
SCHEMBL8113314 0.86 F7 (0.60) F7F2PRSS1F10SLC1A3
SCHEMBL7147085 0.86 F7 (0.60) F7F2PRSS1F10SLC1A3
SCHEMBL7147087 0.86 F7 (0.60) F7F2PRSS1F10SLC1A3
SCHEMBL7144961 0.84 ADRB3 (0.43) F7F2PRSS1F10ALDH1A1
SCHEMBL7144966 0.84 ADRB3 (0.43) F7F2PRSS1F10ALDH1A1
SCHEMBL7140860 0.83 F7 (0.43) F7F2PRSS1F10ALDH1A1
SCHEMBL7140854 0.83 F7 (0.43) F7F2PRSS1F10ALDH1A1

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