SCHEMBL7147547

SCHEMBL7147547

COCC(=O)Nc1cc(OCc2ccccc2)c(OC)cc1[C@H](Nc1ccc(C#N)cc1)C(=O)NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.52
PRSS1 P07477 8/20 0.52
F7 P08709 8/20 0.52
F10 P00742 7/20 0.50
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
UBE2N P61088 1/20 0.41
PRSS2 P07478 1/20 0.40
F3 P13726 1/20 0.40
PRSS3 P35030 1/20 0.40
HIF1A Q16665 1/20 0.39
CYP19A1 P11511 1/20 0.39
KDM4E B2RXH2 3/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7147539 1.00 F2 (0.52) F2PRSS1F7F10ALDH1A1
SCHEMBL8128134 0.92 F2 (0.52) F2PRSS1F7F10ALDH1A1
SCHEMBL5882666 0.91 ALDH1A1 (0.47) F2PRSS1F7F10ALDH1A1
SCHEMBL7143883 0.90 F2 (0.55) F2PRSS1F7F10ALDH1A1
SCHEMBL7150819 0.87 F2 (0.70) F2PRSS1F7F10ALDH1A1
SCHEMBL7150813 0.87 F2 (0.70) F2PRSS1F7F10ALDH1A1
SCHEMBL7146130 0.87 F2 (0.57) F2PRSS1F7F10ALDH1A1
SCHEMBL7146126 0.87 F2 (0.57) F2PRSS1F7F10ALDH1A1
SCHEMBL7146545 0.87 F2 (0.57) F2PRSS1F7F10PRSS2
SCHEMBL7144098 0.86 F2 (0.58) F2PRSS1F7F10ALDH1A1

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