SCHEMBL7296365

SCHEMBL7296365

COc1cc([C@H](Nc2ccc(C(=N)NO)cc2)C(=O)NCc2ccccc2)ccc1OCc1ccncc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 12/20 0.75
F2 P00734 11/20 0.75
PRSS1 P07477 10/20 0.75
F10 P00742 10/20 0.75
F3 P13726 4/20 0.61
PRSS2 P07478 2/20 0.61
PRSS3 P35030 2/20 0.61
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 1/20 0.45
F11 P03951 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PTGER1 P34995 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7168966 1.00 F7 (0.75) F7F2PRSS1F10F3
SCHEMBL7168962 1.00 F7 (0.75) F7F2PRSS1F10F3
SCHEMBL7150803 0.95 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7150811 0.95 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7150807 0.95 F2 (0.82) F7F2PRSS1F10F3
SCHEMBL7144118 0.91 F7 (0.90) F7F2PRSS1F10F3
SCHEMBL7167223 0.90 F2 (0.74) F7F2PRSS1F10F3
Acetic Acid SCHEMBL8127061 0.90 F7 (0.88) F7F2PRSS1F10F3
SCHEMBL7167218 0.90 F2 (0.74) F7F2PRSS1F10F3
SCHEMBL7297747 0.90 F2 (0.74) F7F2PRSS1F10F3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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