SCHEMBL7150814

SCHEMBL7150814

COc1cc(C(Nc2ccc(C#N)cc2)C(=O)N(C)Cc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F7 P08709 6/20 0.56
F2 P00734 5/20 0.56
F10 P00742 5/20 0.56
PRSS1 P07477 5/20 0.56
F3 P13726 3/20 0.56
PRSS2 P07478 2/20 0.56
PRSS3 P35030 2/20 0.56
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP19A1 P11511 1/20 0.44
CTSV O60911 3/20 0.44
CTSL P07711 3/20 0.44
KDM4E B2RXH2 1/20 0.43
HIF1A Q16665 1/20 0.42
APP P05067 3/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7150820 1.00 F7 (0.56) F7F2F10PRSS1F3
SCHEMBL8126926 0.88 F2 (0.71) F7F2F10PRSS1F3
SCHEMBL8122582 0.88 F2 (0.71) F7F2F10PRSS1F3
SCHEMBL5883867 0.88 F2 (0.71) F7F2F10PRSS1F3
SCHEMBL8122617 0.87 F2 (0.56) F7F2F10PRSS1F3
SCHEMBL8122616 0.87 F2 (0.56) F7F2F10PRSS1F3
SCHEMBL7145228 0.85 F2 (0.60) F7F2F10PRSS1F3
SCHEMBL7145237 0.85 F2 (0.60) F7F2F10PRSS1F3
SCHEMBL7145233 0.85 F2 (0.60) F7F2F10PRSS1F3
SCHEMBL7149661 0.85 F7 (0.79) 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 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