SCHEMBL27640757

SCHEMBL27640757

CCCC(=O)Nc1cc(C2CCNCC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
QDPR P09417 1/20 0.40
RAB9A P51151 1/20 0.40
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPK1 P28482 1/20 0.39
NMT2 O60551 1/20 0.39
NMT1 P30419 1/20 0.39
USP25 Q9UHP3 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
SCHEMBL27649135 0.83 PKM (0.47) GAARAB9A
SCHEMBL3986564 0.81 HDAC1 (0.49) POLBGAARAB9A
SCHEMBL27640735 0.80 DRD2 (0.47) MAPK14QDPRTLR9TLR8TLR7
SCHEMBL6365423 0.80 KMT2A (0.47) GAARAB9A
SCHEMBL4776810 0.79 TP53 (0.55) RAB9A
SCHEMBL4769696 0.79 CYP3A4 (0.50)
SCHEMBL27621992 0.78 NMT2 (0.50) RAB9ANMT2NMT1
SCHEMBL3811973 0.78 HDAC2 (0.46) MAPK14RAB9A
SCHEMBL6365745 0.78 HDAC1 (0.50) POLB
SCHEMBL3992483 0.78 DRD2 (0.49) MAPK14RAB9A

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