SCHEMBL6876138

SCHEMBL6876138

CCOC(=O)C(Nc1ccc(C(=N)N)cc1)c1cc(OCC)cc(OCC(C)N2CCCCC2)c1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.57
F7 P08709 19/20 0.48
PRSS1 P07477 11/20 0.48
PRSS2 P07478 11/20 0.48
PRSS3 P35030 11/20 0.48
F3 P13726 4/20 0.48
F2 P00734 11/20 0.45

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
SCHEMBL6873058 0.93 F10 (0.66) F10F7PRSS1PRSS2PRSS3
SCHEMBL7148989 0.87 F10 (0.60) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7148983 0.86 F10 (0.60) F10F7PRSS1PRSS2PRSS3
SCHEMBL7145478 0.86 F10 (0.62) F10F7PRSS1PRSS2PRSS3
SCHEMBL7151893 0.86 F10 (0.57) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7148944 0.85 F10 (0.61) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6876133 0.85 F10 (0.56) F10F7PRSS1PRSS2PRSS3
SCHEMBL7150858 0.81 F10 (0.69) F10F7PRSS1PRSS2PRSS3
SCHEMBL7152748 0.81 F10 (0.63) F10F7PRSS1PRSS2PRSS3
SCHEMBL7145184 0.80 F10 (0.54) F10F7PRSS1PRSS2PRSS3

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