SCHEMBL7148250

SCHEMBL7148250

COc1cc(CC(=O)Nc2ccccc2[C@H](Nc2ccc(C(=N)N)cc2)C(=O)N[C@H](C(=O)O)c2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.73
F7 P08709 12/20 0.73
PRSS1 P07477 11/20 0.73
F10 P00742 10/20 0.73
PRSS2 P07478 2/20 0.64
F3 P13726 2/20 0.64
PRSS3 P35030 2/20 0.64
MRGPRX1 Q96LB2 4/20 0.51
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
POLB P06746 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL7169846 1.00 F2 (0.73) F2F7PRSS1F10PRSS2
SCHEMBL5882979 0.93 F2 (0.69) F2F7PRSS1F10PRSS2
SCHEMBL7140881 0.89 F2 (0.71) F2F7PRSS1F10PRSS2
SCHEMBL7148242 0.89 F7 (0.78) F2F7PRSS1F10PRSS2
SCHEMBL7149324 0.89 F7 (0.78) F2F7PRSS1F10PRSS2
Acetic Acid SCHEMBL8128145 0.88 F7 (0.76) F2F7PRSS1F10PRSS2
Acetic Acid SCHEMBL8122925 0.88 F7 (0.76) F2F7PRSS1F10PRSS2
Acetic Acid SCHEMBL8127351 0.88 F2 (0.69) F2F7PRSS1F10PRSS2
SCHEMBL7144724 0.85 F7 (1.00) F2F7PRSS1F10PRSS2
SCHEMBL7144727 0.85 F7 (1.00) 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 claimed
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 claimed
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