SCHEMBL7065534

SCHEMBL7065534

CC(=O)NCCNC(=O)C=Cc1cc(O)ccc1N.Nc1ccc(O)cc1C(=O)C=CN1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
PELI1 Q96FA3 1/20 0.36
LY96 Q9Y6Y9 1/20 0.33
CHRNA7 P36544 5/20 0.32
CYP19A1 P11511 1/20 0.32
TYR P14679 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
SNCA P37840 1/20 0.31

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
SCHEMBL6096739 0.81 GUSB (0.36) CHRNA7
SCHEMBL6096206 0.80 PELI1 (0.51) BCHEACHEPELI1LY96SNCA
SCHEMBL6096211 0.80 PELI1 (0.51) BCHEACHEPELI1LY96SNCA
SCHEMBL6138997 0.71 MAPT (0.41) CHRNA7
SCHEMBL6096934 0.71 CTSL (0.42) CHRNA7CYP19A1TYR
Hydrochloric Acid SCHEMBL6139196 0.70 MAPT (0.43) CHRNA7
SCHEMBL6139076 0.70 LY96 (0.45) PELI1LY96TYR
SCHEMBL6098062 0.70 PELI1 (0.65) PELI1LY96SNCA
SCHEMBL6139078 0.70 LY96 (0.45) PELI1LY96TYR
SCHEMBL6098058 0.70 PELI1 (0.65) PELI1LY96SNCA

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
US-6515155-B1 Group 4 metal complexes of the constrained geometry type, catalysts derived therefrom and polymerization processes using the same, characterized by a nitrogen containing aliphatic or cycloaliphatic moiety that is substituted with one or more DOW GLOBAL TECHNOLOGIES INC. 2003-02-04 US disclosed