SCHEMBL7150532

SCHEMBL7150532

COc1ccc(CNC(=O)[C@H](Nc2ccc(C#N)cc2)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.70
PRSS1 P07477 8/20 0.70
F7 P08709 8/20 0.70
F10 P00742 7/20 0.70
PRSS2 P07478 2/20 0.58
F3 P13726 2/20 0.58
PRSS3 P35030 2/20 0.58
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
HIF1A Q16665 1/20 0.47
MRGPRX1 Q96LB2 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7150525 1.00 F2 (0.70) F2PRSS1F7F10PRSS2
SCHEMBL7150538 1.00 F2 (0.70) F2PRSS1F7F10PRSS2
SCHEMBL7142565 0.96 F7 (0.73) F2PRSS1F7F10PRSS2
SCHEMBL7142569 0.96 F7 (0.73) F2PRSS1F7F10PRSS2
SCHEMBL7142570 0.96 F7 (0.73) F2PRSS1F7F10PRSS2
SCHEMBL7143704 0.93 F7 (0.68) F2PRSS1F7F10PRSS2
SCHEMBL7143705 0.93 F7 (0.68) F2PRSS1F7F10PRSS2
SCHEMBL7143709 0.93 F7 (0.68) F2PRSS1F7F10PRSS2
SCHEMBL7150149 0.91 F7 (0.67) F2PRSS1F7F10PRSS2
SCHEMBL7150156 0.91 F7 (0.67) F2PRSS1F7F10PRSS2

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