SCHEMBL7143460

SCHEMBL7143460

CCOc1cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F7 P08709 19/20 1.00
F2 P00734 15/20 1.00
F10 P00742 15/20 1.00
PRSS1 P07477 12/20 1.00
F3 P13726 9/20 0.82
PRSS2 P07478 3/20 0.82
PRSS3 P35030 3/20 0.82
F11 P03951 3/20 0.55
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
MRGPRX1 Q96LB2 1/20 0.50

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
SCHEMBL7143455 1.00 F7 (1.00) F7F2F10PRSS1F3
SCHEMBL7143452 1.00 F7 (1.00) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL8123161 0.99 F7 (0.98) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL7147979 0.99 F7 (0.98) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL8123157 0.99 F7 (0.98) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL8127219 0.95 F7 (0.98) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL7149288 0.95 F7 (0.98) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL8127215 0.95 F7 (0.98) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL7144104 0.91 F7 (0.98) F7F2F10PRSS1F3
Hydrochloric Acid SCHEMBL8122981 0.91 F7 (0.98) F7F2F10PRSS1F3

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 6 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
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP claimed
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