SCHEMBL7422146

SCHEMBL7422146

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.39
F7 P08709 9/20 0.39
F3 P13726 9/20 0.39
PRSS1 P07477 8/20 0.39
PRSS2 P07478 8/20 0.39
PRSS3 P35030 8/20 0.39
F2 P00734 6/20 0.38
KCNA5 P22460 1/20 0.37
GPR88 Q9GZN0 3/20 0.37
KDM4E B2RXH2 2/20 0.36
LTA4H P09960 1/20 0.35

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
SCHEMBL7411481 0.90 F7 (0.45) F10F7F3PRSS1PRSS2
SCHEMBL7410556 0.86 F7 (0.57) F10F7F3PRSS1PRSS2
SCHEMBL5882358 0.82 KDM4E (0.57) F10F7F3PRSS1PRSS2
SCHEMBL7413994 0.82 HSP90AA1 (0.38) F10F7F3PRSS1PRSS2
SCHEMBL5882897 0.80 F10 (0.58) F10F7F3PRSS1PRSS2
SCHEMBL5882491 0.79 PRSS1 (0.48) F10F7F3PRSS1PRSS2
SCHEMBL5882557 0.78 F7 (0.52) F10F7F3PRSS1PRSS2
SCHEMBL5882558 0.78 F7 (0.52) F10F7F3PRSS1PRSS2
SCHEMBL5883637 0.78 F7 (0.50) F10F7F3PRSS1PRSS2
SCHEMBL5883839 0.77 PRSS1 (0.42) F10F7F3PRSS1PRSS2

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