SCHEMBL8409263

SCHEMBL8409263

NN=CNCCCNC(=O)C1CCCCN1C(=O)C(CC1CCCCC1)NCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.45
PRSS1 P07477 4/20 0.45
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
PLAT P00750 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 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
Inogatran SCHEMBL1208039 0.87 F2 (0.52) F2PRSS1F10PLGPLAT
Inogatran SCHEMBL22745 0.87 F2 (0.52) F2PRSS1F10PLGPLAT
Inogatran SCHEMBL22746 0.87 F2 (0.52) F2PRSS1F10PLGPLAT
Inogatran SCHEMBL6666022 0.86 F2 (0.51) F2PRSS1F10PLGPLAT
Inogatran SCHEMBL871973 0.85 F2 (0.47) F2PRSS1F10PLGPLAT
SCHEMBL5862699 0.75 F2 (0.52) F2PRSS1F10PLATPRSS2
SCHEMBL14082058 0.74 F2 (0.62) F2PRSS1F10PLGPLAT
SCHEMBL6665350 0.73 PRCP (0.45) F2PRSS1F10PLG
SCHEMBL23793969 0.70 F2 (0.75) F2PRSS1F10PLGPLAT
SCHEMBL7155126 0.69 FKBP1A (0.46) F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5980951-A Oral coated active drugs MERCK & CO., INC. (US) 1999-11-09 US disclosed