SCHEMBL7428803

SCHEMBL7428803

NCc1cccc(N(CC(=O)O)C(=O)c2ccccc2)c1.N[C@@H](CO)C(=O)NC(=O)c1ccc2c(c1)NCC2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.34
NAMPT P43490 4/20 0.34
SLC7A5 Q01650 1/20 0.32
CFD P00746 4/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ADRA2C P18825 1/20 0.31
F11 P03951 1/20 0.30
TPSB2 P20231 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30
NPY2R P49146 1/20 0.30

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
SCHEMBL7428225 0.92 ACHE (0.34) ACHENAMPTSLC7A5CFDOPRM1
SCHEMBL7427153 0.92 ACHE (0.34) ACHENAMPTSLC7A5CFDOPRM1
Trifluoroacetic Acid SCHEMBL7431702 0.91 NAMPT (0.34) ACHENAMPTSLC7A5OPRK1
SCHEMBL7426885 0.89 ACHE (0.35) ACHENAMPTSLC7A5CFDOPRM1
SCHEMBL7431168 0.87 ACHE (0.38) ACHECFDOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL7422801 0.84 ACHE (0.35) ACHECFDOPRM1OPRD1OPRK1
Trifluoroacetic Acid SCHEMBL5212873 0.83 ACHE (0.34) ACHENAMPTSLC7A5OPRK1
Trifluoroacetic Acid SCHEMBL5213057 0.83 ACHE (0.34) ACHENAMPTSLC7A5OPRK1
Trifluoroacetic Acid SCHEMBL7428691 0.81 CFD (0.43) ACHENAMPTCFD
Trifluoroacetic Acid SCHEMBL7424902 0.81 ACHE (0.34) ACHENAMPTSLC7A5

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-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed