SCHEMBL6872185

SCHEMBL6872185

CCOC(=O)C(Nc1ccc(C#N)cc1)c1cc(OCC)cc(OC(C)C2CCNCC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.42
F7 P08709 18/20 0.38
F2 P00734 10/20 0.37
PRSS1 P07477 10/20 0.37
PRSS2 P07478 10/20 0.37
PRSS3 P35030 10/20 0.37
ACACB O00763 1/20 0.36

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
SCHEMBL6874667 0.91 F10 (0.40) F10F7F2PRSS1PRSS2
SCHEMBL6874415 0.88 F10 (0.52) F10F7F2PRSS1PRSS2
Acetic Acid SCHEMBL6875565 0.85 F10 (0.57) F10F7F2PRSS1PRSS2
SCHEMBL7149887 0.85 F10 (0.43) F10F7PRSS1PRSS2PRSS3
SCHEMBL6871330 0.83 F10 (0.40) F10F7F2PRSS1PRSS2
SCHEMBL6874216 0.82 F10 (0.48) F10ACACB
SCHEMBL6874220 0.82 F10 (0.48) F10ACACB
SCHEMBL7144475 0.81 F10 (0.42) F10F7F2PRSS1PRSS2
SCHEMBL7153753 0.81 L3MBTL1 (0.44) F10F7
SCHEMBL7153757 0.81 L3MBTL1 (0.44) F10F7

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-1474391-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP disclosed
WO-2003066588-A1 WATER SOLUBLE PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO disclosed