SCHEMBL27640735

SCHEMBL27640735

CC(C)C(=O)Nc1cc(C2CCNCC2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
ADRA1A P35348 2/20 0.47
QDPR P09417 1/20 0.42
MAPK14 Q16539 2/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
JAK3 P52333 1/20 0.39
HTR2C P28335 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL5661763 0.86 DRD2 (0.50) DRD2ADRA1AQDPRTLR9TLR8
SCHEMBL4775482 0.81 WDR5 (0.41) TLR9TLR8TLR7
SCHEMBL27640757 0.80 MAPK14 (0.42) QDPRMAPK14TLR9TLR8TLR7
SCHEMBL5342788 0.79 DRD2 (0.38) DRD2ADRA1ATLR9TLR8TLR7
SCHEMBL4764984 0.78 NAMPT (0.56) JAK3NAMPT
SCHEMBL4768317 0.77 DRD2 (0.54) DRD2ADRA1A
SCHEMBL5345157 0.77 DRD2 (0.47) DRD2ADRA1A
SCHEMBL4791557 0.76 DRD2 (0.54) DRD2ADRA1AHTR2C
SCHEMBL27649135 0.73 PKM (0.47) NAMPT
SCHEMBL29177436 0.73 GLA (0.46) MAPK14

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
CN-1735595-A Substituted alkyl amido piperidines LUNDBECK & CO AS H (DK) 2006-02-15 CN disclosed