SCHEMBL6578890

SCHEMBL6578890

CC(C)(C)OC(=O)NCC[C@@H](Oc1cc(Cl)ccc1C#N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.49
SLC6A2 P23975 6/20 0.49
SLC6A4 P31645 6/20 0.49
NOS2 P35228 6/20 0.49
KCNH2 Q12809 2/20 0.47
CTSL P07711 1/20 0.41
IDO1 P14902 2/20 0.41
AAK1 Q2M2I8 4/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
DRD2 P14416 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 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
SCHEMBL6503616 0.79 SLC6A2 (0.45) CYP2D6SLC6A2SLC6A4NOS2KCNH2
SCHEMBL7650957 0.76 SLC6A2 (0.42) CYP2D6SLC6A2SLC6A4NOS2KCNH2
SCHEMBL30386539 0.76 PRMT5 (0.47) CTSLIDO1AAK1MEN1GAA
SCHEMBL17674434 0.73 IDO1 (0.48) CTSLIDO1AAK1MEN1GAA
SCHEMBL7414731 0.72 PTGDR2 (0.45) IDO1GAAPTGDR2
SCHEMBL7644451 0.72 NOS2 (0.58) CYP2D6SLC6A2SLC6A4NOS2KCNH2
SCHEMBL6337819 0.72 NOS2 (0.67) CYP2D6SLC6A2SLC6A4NOS2KCNH2
SCHEMBL25345326 0.70 CTSL (0.53) CTSL
SCHEMBL25345323 0.70 CTSL (0.53) CTSL
SCHEMBL30597398 0.70 NOS2 (0.43) NOS2CTSLIDO1AAK1MEN1

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
EP-1263715-B1 NOVEL PHENYLHETEROALKYLAMINE DERIVATIVES ASTRAZENECA AB (SE) 2004-04-28 EP disclosed