SCHEMBL8337477

SCHEMBL8337477

CC(CNC(=O)c1ccc(Cl)s1)CNc1ccc(N2CCCC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.61
F2 P00734 3/20 0.51
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
F9 P00740 1/20 0.46
PLG P00747 1/20 0.46
PLAT P00750 1/20 0.46
KLKB1 P03952 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46

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
SCHEMBL5473752 0.89 F10 (0.62) F10F2ALDH1A1HPGDF9
SCHEMBL14838626 0.86 F10 (0.67) F10F2
SCHEMBL5437158 0.80 F10 (0.64) F10F2ALDH1A1HPGD
SCHEMBL469775 0.80 F10 (0.54) F10F2
SCHEMBL5432999 0.79 F10 (0.60) F10F2ALDH1A1HPGD
SCHEMBL5438932 0.78 F10 (0.64) F10F2ALDH1A1HPGD
SCHEMBL76968 0.77 F10 (0.51) F10F2F9PLGPLAT
SCHEMBL15326027 0.76 F10 (0.47) F10F2
SCHEMBL5433737 0.76 F10 (0.59) F10F2ALDH1A1HPGD
SCHEMBL15326032 0.76 F10 (0.47) F10F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004101557-A1 HETEROCYCLIC COMPOUNDS BAYER HEALTHCARE AG (DE) 2004-11-25 WO disclosed