SCHEMBL6866483

SCHEMBL6866483

CCOC(=O)CN1CCCC(Oc2cc(OCC)cc(C(Nc3ccc(C(=N)N)cc3)C(=O)OCC)c2F)C1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.66
F7 P08709 19/20 0.49
PRSS1 P07477 12/20 0.49
PRSS2 P07478 12/20 0.49
PRSS3 P35030 12/20 0.49
F2 P00734 10/20 0.49
F3 P13726 9/20 0.49

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
SCHEMBL7146759 1.00 F10 (0.66) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6866479 0.99 F10 (0.65) F10F7PRSS1PRSS2PRSS3
SCHEMBL7153306 0.91 F10 (0.68) F10F7PRSS1PRSS2PRSS3
SCHEMBL6871860 0.91 F10 (0.68) F10F7PRSS1PRSS2PRSS3
SCHEMBL6873575 0.91 F10 (0.72) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6871858 0.91 F10 (0.67) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6873566 0.91 F10 (0.71) F10F7PRSS1PRSS2PRSS3
SCHEMBL7151136 0.90 F10 (0.74) F10F7PRSS1PRSS2PRSS3
SCHEMBL6874427 0.90 F10 (0.74) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6874421 0.89 F10 (0.73) 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