SCHEMBL4665815

SCHEMBL4665815

N=C(N)c1ccc(NC(=O)[CH]CC=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.59
▸ PRSS1 P07477 3/20 0.59
▸ PRSS2 P07478 1/20 0.59
▸ PRSS3 P35030 1/20 0.59
▸ TMPRSS6 Q8IU80 1/20 0.59
▸ ST14 Q9Y5Y6 1/20 0.59
▸ KLK1 P06870 2/20 0.49
▸ KLK5 Q9Y337 2/20 0.49
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ F10 P00742 3/20 0.47
▸ PLAU P00749 3/20 0.47
▸ PLAT P00750 3/20 0.47
▸ PLG P00747 2/20 0.47

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
SCHEMBL31693012 0.78 F2 (0.65) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4224686 0.77 F2 (0.74) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL3297015 0.76 ITGB3 (0.59) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL14599554 0.75 PRSS1 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7138521 0.75 ALDH1A1 (0.64) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL6978866 0.75 ITGB3 (0.58) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4553738 0.75 F2 (0.77) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL6983843 0.74 ALDH1A1 (0.62) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL3290955 0.72 ITGB3 (0.81) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL8994029 0.72 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877067-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA Microbia, Inc. (US) 2008-01-16 — — EP disclosed
EP-1851197-A2 PHENYLAZETIDINONE DERIVATIVES Microbia, Inc. (US) 2007-11-07 — — EP disclosed
WO-2006116499-A1 4-BIARYLYL-1-PHENYLAZETIDIN-2-ONE GLUCURONIDE DERIVATIVES FOR HYPERCHOLESTEROLEMIA MICROBIA, INC. (US) 2006-11-02 — — WO disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 — — WO disclosed
WO-2006086562-A2 PHENYLAZETIDINONE DERIVATIVES MICROBIA, INC. (US) 2006-08-17 — — WO disclosed
CN-1658903-A Combinations of peroxisome proliferator-activated receptor (ppar) activator(s) and sterol absorption inhibitor(s) and treatments for vascular indications SCHERING CORP (US) 2005-08-24 — — CN disclosed
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