SCHEMBL7148405

SCHEMBL7148405

COc1cc(OC)cc([C@H](Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.56
PRSS1 P07477 7/20 0.56
F2 P00734 7/20 0.56
F10 P00742 7/20 0.56
F3 P13726 4/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
TACR1 P25103 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
PTPN1 P18031 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
NPC1 O15118 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL7148395 1.00 F7 (0.56) F7PRSS1F2F10F3
SCHEMBL7148384 1.00 F7 (0.56) F7PRSS1F2F10F3
SCHEMBL7148516 0.88 F7 (0.61) F7PRSS1F2F10F3
SCHEMBL7148524 0.88 F7 (0.61) F7PRSS1F2F10F3
SCHEMBL7148518 0.88 F7 (0.61) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8128859 0.88 F2 (0.68) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8128850 0.88 F2 (0.68) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL7149378 0.88 F2 (0.68) F7PRSS1F2F10F3
SCHEMBL8119907 0.84 F7 (0.57) F7PRSS1F2F10F3
Hydrochloric Acid SCHEMBL8113471 0.83 F7 (0.72) F7PRSS1F2F10F3

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