SCHEMBL7142637

SCHEMBL7142637

COc1cc(O)c([C@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.49
PRSS1 P07477 4/20 0.49
F7 P08709 4/20 0.49
F10 P00742 3/20 0.49
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 2/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL7142631 1.00 F2 (0.49) F2PRSS1F7F10KDM4E
SCHEMBL7147512 0.89 F2 (0.49) F2PRSS1F7F10KDM4E
SCHEMBL7146102 0.89 F7 (0.51) F2PRSS1F7F10KDM4E
SCHEMBL7146106 0.89 F7 (0.51) F2PRSS1F7F10KDM4E
SCHEMBL7147502 0.89 F2 (0.49) F2PRSS1F7F10KDM4E
SCHEMBL7146126 0.88 F2 (0.57) F2PRSS1F7F10KDM4E
SCHEMBL7146130 0.88 F2 (0.57) F2PRSS1F7F10KDM4E
SCHEMBL7144961 0.87 ADRB3 (0.43) F2PRSS1F7F10KDM4E
SCHEMBL7144966 0.87 ADRB3 (0.43) F2PRSS1F7F10KDM4E
SCHEMBL7140382 0.87 F2 (0.49) F2PRSS1F7F10GAA

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