SCHEMBL30823809

SCHEMBL30823809

CC[C@@]1(c2ccc(C)cc2)CNC(=O)[C@@H](c2ccc(F)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.37
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 4/20 0.34
MAOA P21397 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL28645254 1.00 SLC6A9 (0.37) SLC6A9KDM1ARCOR1TDP1KMT2A
SCHEMBL28645251 0.81 SLC6A9 (0.39) SLC6A9TDP1KMT2AMEN1ALDH1A1
SCHEMBL28927692 0.69 TDP1 (0.38) KDM1ARCOR1TDP1ALDH1A1GAA
SCHEMBL28652603 0.66 PLA2G7 (0.36) ALDH1A1MAPT
SCHEMBL2307392 0.64 TDP1 (0.46) TDP1ALDH1A1
SCHEMBL12457116 0.63 SLC6A3 (0.52) KDM1ARCOR1MAOBMAOASLC6A2
SCHEMBL25669125 0.62 RAB9A (0.46) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL28645239 0.62 TDP1 (0.44) KDM1ARCOR1TDP1ALDH1A1
SCHEMBL14520916 0.61 SLC6A2 (0.51) SLC6A9KMT2AMEN1MAOBMAOA
SCHEMBL6003343 0.61 SLC6A2 (0.51) SLC6A9KMT2AMEN1MAOBMAOA

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-113461599-B Process for preparing piperidone compounds 南方科技大学 2024-02-09 CN disclosed