SCHEMBL7411666

SCHEMBL7411666

[CH2]COc1c(C=CCl)cc(CC)cc1C(Nc1ccc(C(=N)N)cc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F7 P08709 17/20 0.43
PRSS1 P07477 16/20 0.43
F10 P00742 16/20 0.43
F3 P13726 13/20 0.43
PRSS2 P07478 11/20 0.43
PRSS3 P35030 11/20 0.43
F2 P00734 15/20 0.39
PLAU P00749 2/20 0.36
PLG P00747 1/20 0.36
PLAT P00750 1/20 0.36
KLKB1 P03952 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
SCHEMBL5883227 0.85 F7 (0.46) F7PRSS1F10F3PRSS2
SCHEMBL5882875 0.84 F7 (0.44) F7PRSS1F10F3PRSS2
SCHEMBL7417393 0.83 F7 (0.49) F7PRSS1F10F3PRSS2
Hydrochloric Acid SCHEMBL7407234 0.82 F7 (0.48) F7PRSS1F10F3PRSS2
SCHEMBL5882097 0.80 F7 (0.46) F7PRSS1F10F3PRSS2
SCHEMBL5883068 0.80 F10 (0.42) F7PRSS1F10F3PRSS2
SCHEMBL5882852 0.79 F7 (0.43) F7PRSS1F10F3PRSS2
SCHEMBL5882374 0.77 F7 (0.43) F7PRSS1F10F3PRSS2
SCHEMBL7419688 0.75 FNTA (0.31)
SCHEMBL5882586 0.73 F7 (0.45) F7PRSS1F10F3PRSS2

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-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed