SCHEMBL7143722

SCHEMBL7143722

COc1cc([C@@H](Nc2ccc(C(=N)NO)cc2)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.70
F7 P08709 11/20 0.70
PRSS1 P07477 10/20 0.70
F10 P00742 9/20 0.70
PRSS2 P07478 2/20 0.64
F3 P13726 2/20 0.64
PRSS3 P35030 2/20 0.64
TRPM8 Q7Z2W7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.46
SMPD1 P17405 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC2 Q92769 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 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
SCHEMBL7146577 1.00 F2 (0.70) F2F7PRSS1F10PRSS2
SCHEMBL7167149 1.00 F2 (0.70) F2F7PRSS1F10PRSS2
SCHEMBL7163922 1.00 F2 (0.70) F2F7PRSS1F10PRSS2
SCHEMBL7142362 0.91 F7 (0.84) F2F7PRSS1F10PRSS2
SCHEMBL7148414 0.91 F7 (0.84) F2F7PRSS1F10PRSS2
SCHEMBL7171245 0.91 F7 (0.84) F2F7PRSS1F10PRSS2
SCHEMBL7144106 0.91 F7 (0.84) F2F7PRSS1F10PRSS2
SCHEMBL8114460 0.90 F2 (0.68) F2F7PRSS1F10PRSS2
SCHEMBL8120377 0.90 F2 (0.68) F2F7PRSS1F10PRSS2
SCHEMBL7164305 0.90 F2 (0.68) F2F7PRSS1F10PRSS2

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