SCHEMBL7149537

SCHEMBL7149537

COc1cc(O[C@@H](C)C(=O)O)c([C@H](Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.64
F7 P08709 13/20 0.64
PRSS1 P07477 11/20 0.64
F10 P00742 11/20 0.64
F3 P13726 5/20 0.54
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54
MRGPRX1 Q96LB2 2/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MASP2 O00187 1/20 0.42
PROC P04070 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
SCHEMBL7146240 1.00 F2 (0.64) F2F7PRSS1F10F3
SCHEMBL7146117 1.00 F2 (0.64) F2F7PRSS1F10F3
SCHEMBL8120003 1.00 F2 (0.64) F2F7PRSS1F10F3
SCHEMBL7144055 1.00 F2 (0.64) F2F7PRSS1F10F3
SCHEMBL8123516 1.00 F2 (0.64) F2F7PRSS1F10F3
Acetic Acid SCHEMBL8127585 0.98 F2 (0.62) F2F7PRSS1F10F3
Hydrochloric Acid SCHEMBL7150362 0.91 F2 (0.70) F2F7PRSS1F10F3
Hydrochloric Acid SCHEMBL8127926 0.91 F2 (0.70) F2F7PRSS1F10F3
Hydrochloric Acid SCHEMBL8127918 0.91 F2 (0.70) F2F7PRSS1F10F3
SCHEMBL8127589 0.91 F2 (0.59) F2F7PRSS1F10F3

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