SCHEMBL6875255

SCHEMBL6875255

CCOc1cc(OC(C)C2CCNCC2)c(F)c(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.66
F7 P08709 19/20 0.55
PRSS1 P07477 12/20 0.55
PRSS2 P07478 12/20 0.55
PRSS3 P35030 12/20 0.55
F3 P13726 8/20 0.55
F2 P00734 11/20 0.53

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
Acetic Acid SCHEMBL6875565 0.92 F10 (0.57) F10F7PRSS1PRSS2PRSS3
SCHEMBL6866388 0.92 F10 (0.62) F10F7PRSS1PRSS2PRSS3
SCHEMBL6866593 0.89 F10 (0.81) F10F7PRSS1PRSS2PRSS3
SCHEMBL6874456 0.88 F10 (0.67) F10F7PRSS1PRSS2PRSS3
SCHEMBL6872459 0.86 F10 (0.65) F10F7PRSS1PRSS2PRSS3
SCHEMBL6873215 0.85 F10 (0.54) F10F7PRSS1PRSS2PRSS3
SCHEMBL7143434 0.84 F10 (0.73) F10F7PRSS1PRSS2PRSS3
SCHEMBL7147264 0.84 F10 (0.73) F10F7PRSS1PRSS2PRSS3
SCHEMBL5882814 0.84 F10 (0.73) F10F7PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6873211 0.84 F10 (0.53) 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