SCHEMBL7147649

SCHEMBL7147649

COc1cc([C@@H](Nc2ccc(C#N)cc2)C(=O)NCc2ccccc2)ccc1OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F7 P08709 9/20 0.62
F2 P00734 7/20 0.62
F10 P00742 6/20 0.62
PRSS1 P07477 6/20 0.62
F3 P13726 4/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
HIF1A Q16665 2/20 0.47
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
F11 P03951 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
TNF P01375 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL7147647 1.00 F7 (0.62) F7F2F10PRSS1F3
SCHEMBL7147651 1.00 F7 (0.62) F7F2F10PRSS1F3
SCHEMBL7142565 0.92 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7142569 0.92 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7142570 0.92 F7 (0.73) F7F2F10PRSS1F3
SCHEMBL7147087 0.89 F7 (0.60) F7F2F10PRSS1F3
SCHEMBL8113314 0.89 F7 (0.60) F7F2F10PRSS1F3
SCHEMBL7147085 0.89 F7 (0.60) F7F2F10PRSS1F3
SCHEMBL7147095 0.89 F7 (0.60) F7F2F10PRSS1F3
SCHEMBL7143705 0.88 F7 (0.68) 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 2 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
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 EP disclosed