SCHEMBL7410556

SCHEMBL7410556

Cc1cc(OCCC2CCCN2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 18/20 0.57
F10 P00742 18/20 0.57
F3 P13726 17/20 0.57
PRSS1 P07477 17/20 0.57
PRSS2 P07478 16/20 0.57
PRSS3 P35030 16/20 0.57
F2 P00734 15/20 0.54
CHEK2 O96017 1/20 0.39

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
SCHEMBL7419716 0.90 F7 (0.62) F7F10F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL7416747 0.90 F7 (0.61) F7F10F3PRSS1PRSS2
SCHEMBL7422146 0.86 F10 (0.39) F7F10F3PRSS1PRSS2
SCHEMBL7407217 0.83 F7 (0.51) F7F10F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL7419200 0.82 F7 (0.50) F7F10F3PRSS1PRSS2
SCHEMBL5882375 0.82 F7 (0.62) F7F10F3PRSS1PRSS2
SCHEMBL5882551 0.80 F10 (0.87) F7F10F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL5882251 0.79 F10 (0.85) F7F10F3PRSS1PRSS2
SCHEMBL5882299 0.79 F7 (0.71) F7F10F3PRSS1PRSS2
SCHEMBL5882672 0.79 PRSS1 (0.68) F7F10F3PRSS1PRSS2

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